 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Boat_STD_B3LYPDBJ-augccpVDZr.in
 Output=25_methylisochromane_Boat_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/25_methylisochromane_Boat_STD/Gau-30528.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/25_methylisochromane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     30530.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                18-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=25_methylisochromane_Boat_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Jul 18 13:01:39 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Boat_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.556893000000      0.962771000000     -0.130925000000
  C                                                 2.806469000000     -0.381564000000      0.128707000000
  C                                                 1.251477000000      1.398833000000     -0.297104000000
  C                                                 0.177898000000      0.511952000000     -0.211676000000
  C                                                 0.433041000000     -0.835657000000      0.047582000000
  C                                                 1.746757000000     -1.271183000000      0.213760000000
  C                                                -1.245374000000      1.001383000000     -0.374974000000
  C                                                -2.153843000000     -0.180074000000     -0.705730000000
  O                                                -1.975330000000     -1.227911000000      0.235605000000
  C                                                -0.702105000000     -1.829642000000      0.110251000000
  H                                                 3.377111000000      1.665240000000     -0.203600000000
  H                                                 3.821503000000     -0.731857000000      0.264537000000
  H                                                 1.055538000000      2.445124000000     -0.502408000000
  H                                                 1.938106000000     -2.319299000000      0.415829000000
  H                                                -1.275680000000      1.696610000000     -1.220779000000
  C                                                -1.728541000000      1.739012000000      0.880156000000
  H                                                -1.947031000000     -0.549488000000     -1.719780000000
  H                                                -3.204706000000      0.105294000000     -0.652132000000
  H                                                -0.679840000000     -2.462779000000     -0.790780000000
  H                                                -0.587050000000     -2.485409000000      0.974413000000
  H                                                -1.772163000000      1.053131000000      1.726763000000
  H                                                -2.725724000000      2.156512000000      0.723367000000
  H                                                -1.053454000000      2.555217000000      1.139441000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Jul 18 13:01:39 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391738   0.000000
     3  C    1.386318   2.401901   0.000000
     4  C    2.422679   2.797073   1.395144   0.000000
     5  C    2.788719   2.417838   2.404494   1.395838   0.000000
     6  C    2.401183   1.386234   2.763199   2.412858   1.393968
     7  C    3.810287   4.310878   2.529485   1.513906   2.523955
     8  C    4.881345   5.034042   3.775729   2.481936   2.772947
     9  O    5.047225   4.857297   4.194740   2.804207   2.447339
    10  C    4.298465   3.795703   3.795454   2.522123   1.510129
    11  H    1.082359   2.150690   2.144303   3.400750   3.871063
    12  H    2.151138   1.082335   3.385309   3.879394   3.396987
    13  H    2.142297   3.384410   1.084097   2.142879   3.384304
    14  H    3.384349   2.142734   3.847628   3.392356   2.145232
    15  H    4.051533   4.775339   2.707096   2.129458   3.307695
    16  C    4.470993   5.062394   3.222138   2.516403   3.463313
    17  H    5.009663   5.103025   4.006297   2.813602   2.978289
    18  H    5.848329   6.081198   4.653693   3.435314   3.822066
    19  H    4.758807   4.163083   4.345774   3.149619   2.142167
    20  H    4.795424   4.081342   4.481548   3.313024   2.149717
    21  H    4.711677   5.057272   3.654852   2.802349   3.354116
    22  H    5.482780   6.115604   4.175352   3.465531   4.403130
    23  H    4.145397   4.954318   2.951879   2.741656   3.860032
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.803158   0.000000
     8  C    4.153392   1.526616   0.000000
     9  O    3.722403   2.423921   1.419838   0.000000
    10  C    2.513865   2.923232   2.344023   1.413823   0.000000
    11  H    3.384498   4.673055   5.852245   6.100152   5.380772
    12  H    2.144300   5.393175   6.078704   5.818091   4.657463
    13  H    3.847287   2.719342   4.151281   4.818922   4.662433
    14  H    1.084432   4.667638   4.751655   4.066767   2.702565
    15  H    4.472228   1.095283   2.135038   3.341166   3.812490
    16  C    4.645757   1.533916   2.525630   3.046142   3.792310
    17  H    4.231252   2.169338   1.098879   2.069925   2.556883
    18  H    5.211664   2.172274   1.090239   2.019128   3.253954
    19  H    2.883986   3.534564   2.718577   2.063167   1.101460
    20  H    2.738538   3.796308   3.254580   2.013569   1.090891
    21  H    4.480448   2.167368   2.753815   2.732761   3.473977
    22  H    5.657904   2.175342   2.798035   3.500760   4.512247
    23  H    4.831087   2.178230   3.478121   3.997353   4.517706
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.482481   0.000000
    13  H    2.467226   4.281586   0.000000
    14  H    4.281469   2.467802   4.931715   0.000000
    15  H    4.762783   5.838227   2.551648   5.397632   0.000000
    16  C    5.219928   6.106322   3.187660   5.489061   2.149607
    17  H    5.962408   6.103012   4.411929   4.773609   2.396804
    18  H    6.779006   7.135034   4.862808   5.785128   2.564525
    19  H    5.817574   4.936788   5.213656   2.886197   4.223795
    20  H    5.859196   4.797313   5.402708   2.591529   4.773087
    21  H    5.533173   6.050900   3.860407   5.182464   3.057542
    22  H    6.192351   7.170731   3.985444   6.471381   2.468571
    23  H    4.714417   5.944369   2.675002   5.764890   2.521355
                   16         17         18         19         20
    16  C    0.000000
    17  H    3.470538   0.000000
    18  H    2.682537   1.774925   0.000000
    19  H    4.641858   2.475782   3.604049   0.000000
    20  H    4.376942   3.585528   4.026104   1.767775   0.000000
    21  H    1.090449   3.804947   2.934232   4.460136   3.806808
    22  H    1.092366   3.727971   2.515734   5.274100   5.117068
    23  H    1.090487   4.314257   3.720180   5.389399   5.064847
                   21         22         23
    21  H    0.000000
    22  H    1.770178   0.000000
    23  H    1.765716   1.768776   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.64D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9809331           1.0075309           0.7304582
 Leave Link  202 at Sun Jul 18 13:01:40 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 404 were deleted.
 There are   383 symmetry adapted cartesian basis functions of A   symmetry.
 There are   361 symmetry adapted basis functions of A   symmetry.
   361 basis functions,   661 primitive gaussians,   383 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       608.7582623565 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0438839307 Hartrees.
 Nuclear repulsion after empirical dispersion term =      608.7143784258 Hartrees.
 Leave Link  301 at Sun Jul 18 13:01:42 2021, MaxMem=  5637144576 cpu:              15.9 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   361 RedAO= T EigKep=  1.17D-06  NBF=   361
 NBsUse=   361 1.00D-06 EigRej= -1.00D+00 NBFU=   361
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   383   383   383   383   383 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Sun Jul 18 13:01:43 2021, MaxMem=  5637144576 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Jul 18 13:01:44 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Boat_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Jul 18 13:01:44 2021, MaxMem=  5637144576 cpu:               4.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636844431 LenY=  5636697301
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.600225644508    
 DIIS: error= 1.79D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.600225644508     IErMin= 1 ErrMin= 1.79D-03
 ErrMax= 1.79D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.75D-03 BMatP= 4.75D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.79D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.229 Goal=   None    Shift=    0.000
 GapD=    0.229 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.01D-02 MaxDP=6.06D+00              OVMax= 1.39D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.90D-02    CP:  1.58D+00
 E= -463.604287861190     Delta-E=       -0.004062216682 Rises=F Damp=F
 DIIS: error= 3.22D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.604287861190     IErMin= 2 ErrMin= 3.22D-04
 ErrMax= 3.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.02D-05 BMatP= 4.75D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.22D-03
 Coeff-Com:  0.206D-01 0.979D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.205D-01 0.979D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=2.79D-03 MaxDP=2.26D-01 DE=-4.06D-03 OVMax= 3.52D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.89D-04    CP:  1.60D+00  1.04D+00
 E= -463.604221721262     Delta-E=        0.000066139928 Rises=F Damp=F
 DIIS: error= 4.87D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -463.604287861190     IErMin= 2 ErrMin= 3.22D-04
 ErrMax= 4.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-04 BMatP= 9.02D-05
 IDIUse=3 WtCom= 3.12D-01 WtEn= 6.88D-01
 Coeff-Com: -0.639D-02 0.596D+00 0.410D+00
 Coeff-En:   0.000D+00 0.638D+00 0.362D+00
 Coeff:     -0.199D-02 0.625D+00 0.377D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=2.44D-04 MaxDP=1.25D-02 DE= 6.61D-05 OVMax= 2.39D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.57D-04    CP:  1.60D+00  1.04D+00  9.74D-01
 E= -463.604364626707     Delta-E=       -0.000142905445 Rises=F Damp=F
 DIIS: error= 2.80D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.604364626707     IErMin= 4 ErrMin= 2.80D-05
 ErrMax= 2.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 9.02D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.417D-02 0.187D+00 0.117D+00 0.700D+00
 Coeff:     -0.417D-02 0.187D+00 0.117D+00 0.700D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=1.18D-04 MaxDP=5.84D-03 DE=-1.43D-04 OVMax= 2.55D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.26D-05    CP:  1.60D+00  1.04D+00  9.68D-01  1.17D+00
 E= -463.604365598064     Delta-E=       -0.000000971357 Rises=F Damp=F
 DIIS: error= 1.70D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.604365598064     IErMin= 5 ErrMin= 1.70D-05
 ErrMax= 1.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-07 BMatP= 1.20D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-02 0.255D-01 0.150D-01 0.357D+00 0.604D+00
 Coeff:     -0.117D-02 0.255D-01 0.150D-01 0.357D+00 0.604D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=2.07D-05 MaxDP=1.05D-03 DE=-9.71D-07 OVMax= 1.57D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.54D-05    CP:  1.60D+00  1.04D+00  9.75D-01  1.16D+00  8.20D-01
 E= -463.604365936405     Delta-E=       -0.000000338341 Rises=F Damp=F
 DIIS: error= 3.57D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.604365936405     IErMin= 6 ErrMin= 3.57D-06
 ErrMax= 3.57D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-08 BMatP= 3.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.399D-03 0.431D-02 0.293D-02 0.142D+00 0.289D+00 0.562D+00
 Coeff:     -0.399D-03 0.431D-02 0.293D-02 0.142D+00 0.289D+00 0.562D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=3.88D-06 MaxDP=2.36D-04 DE=-3.38D-07 OVMax= 8.23D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.67D-06    CP:  1.60D+00  1.04D+00  9.77D-01  1.16D+00  8.29D-01
                    CP:  1.02D+00
 E= -463.604365948920     Delta-E=       -0.000000012515 Rises=F Damp=F
 DIIS: error= 2.05D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.604365948920     IErMin= 7 ErrMin= 2.05D-06
 ErrMax= 2.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.35D-09 BMatP= 1.64D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.696D-04-0.142D-02-0.320D-03 0.327D-01 0.882D-01 0.371D+00
 Coeff-Com:  0.509D+00
 Coeff:     -0.696D-04-0.142D-02-0.320D-03 0.327D-01 0.882D-01 0.371D+00
 Coeff:      0.509D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=2.35D-06 MaxDP=1.52D-04 DE=-1.25D-08 OVMax= 3.41D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.36D-06    CP:  1.60D+00  1.04D+00  9.78D-01  1.17D+00  8.22D-01
                    CP:  9.80D-01  6.98D-01
 E= -463.604365954854     Delta-E=       -0.000000005934 Rises=F Damp=F
 DIIS: error= 3.27D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.604365954854     IErMin= 8 ErrMin= 3.27D-07
 ErrMax= 3.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-10 BMatP= 5.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.314D-05-0.804D-03-0.201D-03 0.221D-02 0.149D-01 0.100D+00
 Coeff-Com:  0.201D+00 0.683D+00
 Coeff:      0.314D-05-0.804D-03-0.201D-03 0.221D-02 0.149D-01 0.100D+00
 Coeff:      0.201D+00 0.683D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=4.68D-07 MaxDP=2.66D-05 DE=-5.93D-09 OVMax= 4.93D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.56D-07    CP:  1.60D+00  1.04D+00  9.78D-01  1.17D+00  8.23D-01
                    CP:  9.83D-01  7.00D-01  9.49D-01
 E= -463.604365954961     Delta-E=       -0.000000000107 Rises=F Damp=F
 DIIS: error= 1.66D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.604365954961     IErMin= 9 ErrMin= 1.66D-07
 ErrMax= 1.66D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-11 BMatP= 1.33D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.650D-05-0.309D-03-0.502D-04-0.149D-02 0.131D-02 0.248D-01
 Coeff-Com:  0.704D-01 0.396D+00 0.510D+00
 Coeff:      0.650D-05-0.309D-03-0.502D-04-0.149D-02 0.131D-02 0.248D-01
 Coeff:      0.704D-01 0.396D+00 0.510D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=1.82D-07 MaxDP=1.07D-05 DE=-1.07D-10 OVMax= 1.89D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.06D-07    CP:  1.60D+00  1.04D+00  9.78D-01  1.17D+00  8.23D-01
                    CP:  9.85D-01  7.14D-01  9.67D-01  8.98D-01
 E= -463.604365954880     Delta-E=        0.000000000081 Rises=F Damp=F
 DIIS: error= 2.69D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -463.604365954961     IErMin=10 ErrMin= 2.69D-08
 ErrMax= 2.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.35D-13 BMatP= 3.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.290D-05-0.104D-03-0.108D-04-0.878D-03-0.290D-03 0.578D-02
 Coeff-Com:  0.212D-01 0.140D+00 0.224D+00 0.611D+00
 Coeff:      0.290D-05-0.104D-03-0.108D-04-0.878D-03-0.290D-03 0.578D-02
 Coeff:      0.212D-01 0.140D+00 0.224D+00 0.611D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=4.16D-08 MaxDP=3.07D-06 DE= 8.14D-11 OVMax= 6.06D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.52D-08    CP:  1.60D+00  1.04D+00  9.78D-01  1.17D+00  8.23D-01
                    CP:  9.86D-01  7.15D-01  9.69D-01  9.03D-01  9.85D-01
 E= -463.604365954913     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 1.74D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -463.604365954961     IErMin=11 ErrMin= 1.74D-08
 ErrMax= 1.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-13 BMatP= 8.35D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.583D-06-0.103D-04 0.458D-05-0.259D-03-0.340D-03-0.585D-03
 Coeff-Com:  0.119D-02 0.182D-01 0.535D-01 0.400D+00 0.528D+00
 Coeff:      0.583D-06-0.103D-04 0.458D-05-0.259D-03-0.340D-03-0.585D-03
 Coeff:      0.119D-02 0.182D-01 0.535D-01 0.400D+00 0.528D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=1.86D-08 MaxDP=1.49D-06 DE=-3.30D-11 OVMax= 2.69D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.92D-09    CP:  1.60D+00  1.04D+00  9.78D-01  1.17D+00  8.23D-01
                    CP:  9.86D-01  7.15D-01  9.73D-01  9.14D-01  9.67D-01
                    CP:  6.32D-01
 E= -463.604365954963     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 3.69D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -463.604365954963     IErMin=12 ErrMin= 3.69D-09
 ErrMax= 3.69D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-14 BMatP= 3.16D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-06 0.224D-05 0.285D-05-0.722D-04-0.172D-03-0.764D-03
 Coeff-Com: -0.997D-03-0.157D-02 0.108D-01 0.166D+00 0.286D+00 0.540D+00
 Coeff:      0.106D-06 0.224D-05 0.285D-05-0.722D-04-0.172D-03-0.764D-03
 Coeff:     -0.997D-03-0.157D-02 0.108D-01 0.166D+00 0.286D+00 0.540D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=4.58D-09 MaxDP=2.21D-07 DE=-5.05D-11 OVMax= 5.17D-08

 SCF Done:  E(RB3LYP) =  -463.604365955     A.U. after   12 cycles
            NFock= 12  Conv=0.46D-08     -V/T= 2.0059
 KE= 4.608893468680D+02 PE=-2.294499838887D+03 EE= 7.612917476381D+02
 Leave Link  502 at Sun Jul 18 13:07:26 2021, MaxMem=  5637144576 cpu:            2707.0 elap:             341.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   361
 NBasis=   361 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    361 NOA=    40 NOB=    40 NVA=   321 NVB=   321

 **** Warning!!: The largest alpha MO coefficient is  0.12485388D+03

 Leave Link  801 at Sun Jul 18 13:07:27 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7107 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.14D-13 8.33D-09 XBig12= 1.00D+00 5.23D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.14D-13 8.33D-09 XBig12= 4.25D-01 1.17D-01.
     11 vectors produced by pass  2 Test12= 2.14D-13 8.33D-09 XBig12= 6.42D-02 5.84D-02.
     11 vectors produced by pass  3 Test12= 2.14D-13 8.33D-09 XBig12= 4.69D-03 1.79D-02.
     11 vectors produced by pass  4 Test12= 2.14D-13 8.33D-09 XBig12= 5.91D-04 6.40D-03.
     11 vectors produced by pass  5 Test12= 2.14D-13 8.33D-09 XBig12= 2.25D-05 8.39D-04.
     11 vectors produced by pass  6 Test12= 2.14D-13 8.33D-09 XBig12= 5.91D-07 1.59D-04.
     11 vectors produced by pass  7 Test12= 2.14D-13 8.33D-09 XBig12= 1.33D-08 1.78D-05.
     11 vectors produced by pass  8 Test12= 2.14D-13 8.33D-09 XBig12= 3.06D-10 2.73D-06.
      8 vectors produced by pass  9 Test12= 2.14D-13 8.33D-09 XBig12= 4.43D-12 3.42D-07.
      3 vectors produced by pass 10 Test12= 2.14D-13 8.33D-09 XBig12= 7.69D-14 3.26D-08.
      1 vectors produced by pass 11 Test12= 2.14D-13 8.33D-09 XBig12= 2.52D-14 1.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.153240D+03
      2 -0.268783D+01  0.133853D+03
      3  0.275384D+01 -0.380705D+01  0.887378D+02
 Isotropic polarizability for W=    0.085645      125.28 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.147466D+03  0.169357D+02  0.397515D+01
      2  -0.762775D+02  0.375810D+01  0.110262D+02
      3  -0.711889D+02 -0.206938D+02 -0.150014D+02
      4   0.542356D+02  0.690638D+02 -0.289470D+02
      5   0.132504D+01 -0.304253D+02 -0.163475D+02
      6  -0.141192D+02  0.705423D+01  0.157442D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.225240D+01 -0.590981D+01 -0.120499D+02
      2   0.774706D+01 -0.124078D+02 -0.429521D+01
      3   0.513129D+01 -0.517227D+02  0.937866D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.147829D+01 -0.397197D+01 -0.364380D+02
      2   0.265011D+01 -0.148278D+02  0.548415D+02
      3   0.372999D+02 -0.145341D+03  0.163061D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.188414D+01 -0.624544D+00  0.183739D+01
      2  -0.624544D+00  0.210858D+01  0.269200D+01
      3   0.183739D+01  0.269200D+01 -0.100117D+01
 OR G Eigenvalues:    -4.1600    -0.3077     3.6910  Iso=     0.2589
 Eigenvectors:
   (1)  -0.644288  -0.355076   0.677358
   (2)   0.761060  -0.384962   0.522104
   (3)   0.075370   0.851895   0.518260
 w=    0.085645 a.u., Optical Rotation Beta=      0.2589 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =       82.85 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   65341 ScalPx= 3.06D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.02D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.57D-14 2.78D-09 XBig12= 1.00D+00 3.42D-01.
     30 vectors produced by pass  1 Test12= 3.57D-14 2.78D-09 XBig12= 3.33D-02 4.14D-02.
     30 vectors produced by pass  2 Test12= 3.57D-14 2.78D-09 XBig12= 1.00D-03 5.83D-03.
     30 vectors produced by pass  3 Test12= 3.57D-14 2.78D-09 XBig12= 1.92D-05 5.19D-04.
     30 vectors produced by pass  4 Test12= 3.57D-14 2.78D-09 XBig12= 2.00D-07 6.58D-05.
     30 vectors produced by pass  5 Test12= 3.57D-14 2.78D-09 XBig12= 1.15D-09 3.58D-06.
     30 vectors produced by pass  6 Test12= 3.57D-14 2.78D-09 XBig12= 4.05D-12 2.23D-07.
      9 vectors produced by pass  7 Test12= 3.57D-14 2.78D-09 XBig12= 1.60D-14 1.46D-08.
      6 vectors produced by pass  8 Test12= 3.57D-14 2.78D-09 XBig12= 1.97D-15 6.20D-09.
      1 vectors produced by pass  9 Test12= 3.57D-14 2.78D-09 XBig12= 6.28D-16 2.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   226 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 6.97D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 6.97D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.91D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153240D+03 -0.268783D+01  0.275384D+01
      2  -0.268783D+01  0.133853D+03 -0.380705D+01
      3   0.275384D+01 -0.380705D+01  0.887378D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.225240D+01 -0.590981D+01 -0.120499D+02
      2   0.774706D+01 -0.124078D+02 -0.429521D+01
      3   0.513129D+01 -0.517227D+02  0.937866D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.147466D+03  0.169357D+02  0.397515D+01
      2  -0.762775D+02  0.375810D+01  0.110262D+02
      3  -0.711889D+02 -0.206938D+02 -0.150014D+02
      4   0.542356D+02  0.690638D+02 -0.289470D+02
      5   0.132504D+01 -0.304253D+02 -0.163475D+02
      6  -0.141192D+02  0.705423D+01  0.157442D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.174276D+01  0.209491D+01 -0.394625D+00  0.553495D+01 -0.114578D+01
      2   0.209491D+01  0.221003D+01 -0.609489D+00 -0.114578D+01  0.252902D+01
      3  -0.394625D+00 -0.609489D+00  0.254253D+01  0.967267D+00  0.109705D+01
                 6             7             8             9            10 
      1   0.967267D+00 -0.158040D+01  0.873289D+00  0.438662D+01  0.549477D+01
      2   0.109705D+01  0.873289D+00  0.758013D+00  0.302321D+01 -0.135946D+01
      3   0.211984D+01  0.438662D+01  0.302321D+01 -0.836242D+00 -0.445409D+00
                11            12            13            14            15 
      1  -0.135946D+01 -0.445409D+00 -0.298212D+01 -0.196105D+01  0.122702D+01
      2   0.295417D+01 -0.494308D-01 -0.196105D+01 -0.265278D+01 -0.870627D+00
      3  -0.494308D-01  0.295401D+01  0.122702D+01 -0.870627D+00 -0.933315D+00
                16            17            18            19            20 
      1   0.133247D+00  0.136120D+01  0.533742D+01  0.582194D+00 -0.559396D+01
      2   0.136120D+01  0.177145D+00 -0.143841D+01 -0.559396D+01 -0.687257D-01
      3   0.533742D+01 -0.143841D+01  0.148270D+01  0.266857D+00 -0.228420D+00
                21            22            23            24            25 
      1   0.266857D+00  0.519242D+01 -0.115792D+01 -0.196594D+00 -0.893926D+00
      2  -0.228420D+00 -0.115792D+01  0.217727D+01  0.106274D+01 -0.115213D+01
      3  -0.916667D+00 -0.196594D+00  0.106274D+01  0.200991D+01  0.604301D-01
                26            27            28            29            30 
      1  -0.115213D+01  0.604301D-01 -0.131890D+02  0.635054D+01 -0.230643D+00
      2   0.134914D+01  0.357168D+01  0.635054D+01 -0.660617D+01  0.269206D+00
      3   0.357168D+01 -0.222641D+01 -0.230643D+00  0.269206D+00 -0.192577D+01
                31            32            33            34            35 
      1   0.102657D+02  0.141441D+01 -0.749884D+00 -0.165926D+01 -0.101170D+01
      2   0.141441D+01  0.312633D+01 -0.297794D+00 -0.101170D+01 -0.205548D+00
      3  -0.749884D+00 -0.297794D+00  0.418621D+00 -0.314773D+01  0.174488D+01
                36            37            38            39            40 
      1  -0.314773D+01 -0.148349D+01 -0.490265D+01  0.542655D+00 -0.141535D+02
      2   0.174488D+01 -0.490265D+01 -0.668509D+01  0.328457D+00 -0.257146D+01
      3  -0.974821D+00  0.542655D+00  0.328457D+00 -0.131756D+01 -0.440275D+00
                41            42            43            44            45 
      1  -0.257146D+01 -0.440275D+00  0.303450D+01 -0.175186D+00 -0.204571D+01
      2  -0.649117D+01 -0.275774D+00 -0.175186D+00 -0.633183D+00 -0.280484D+01
      3  -0.275774D+00 -0.851995D+00 -0.204571D+01 -0.280484D+01  0.487106D+00
                46            47            48            49            50 
      1  -0.351154D+01  0.438384D+01 -0.311799D+00 -0.432715D+01  0.675535D+00
      2   0.438384D+01  0.239477D+01  0.321195D+00  0.675535D+00 -0.139654D+01
      3  -0.311799D+00  0.321195D+00 -0.568422D+00  0.522958D-02 -0.957699D+00
                51            52            53            54            55 
      1   0.522958D-02  0.581746D+00  0.545685D+00  0.139821D+01  0.273820D+01
      2  -0.957699D+00  0.545685D+00 -0.141815D+01 -0.349287D+01 -0.123346D+01
      3  -0.227407D+01  0.139821D+01 -0.349287D+01  0.213909D+01 -0.378205D+00
                56            57            58            59            60 
      1  -0.123346D+01 -0.378205D+00 -0.319652D+01  0.518356D+01  0.162350D+01
      2   0.360890D+01  0.193048D+01  0.518356D+01 -0.220601D+01  0.219693D+01
      3   0.193048D+01  0.243719D+01  0.162350D+01  0.219693D+01 -0.420516D+01
                61            62            63            64            65 
      1  -0.269292D+01  0.230547D+01  0.384565D+01  0.700308D+01 -0.254563D+01
      2   0.230547D+01  0.678252D+00 -0.552239D+01 -0.254563D+01 -0.210449D+01
      3   0.384565D+01 -0.552239D+01  0.141540D+01 -0.189178D-01 -0.112999D+01
                66            67            68            69            70 
      1  -0.189178D-01 -0.450414D+01 -0.886815D+00 -0.115778D+01 -0.441907D+00
      2  -0.112999D+01 -0.886815D+00  0.235183D+00 -0.155272D+01 -0.357779D+00
      3  -0.263958D+01 -0.115778D+01 -0.155272D+01  0.149917D+01  0.275902D+00
                71            72            73            74            75 
      1  -0.357779D+00  0.275902D+00 -0.578172D+01 -0.786874D+00  0.111536D+01
      2  -0.110504D+01  0.392018D+01 -0.786874D+00  0.169812D+01  0.101913D+01
      3   0.392018D+01  0.715485D+01  0.111536D+01  0.101913D+01  0.517179D+00
                76            77            78            79            80 
      1   0.822835D+00 -0.182404D+01  0.664586D+00  0.107873D+01 -0.103878D+00
      2  -0.182404D+01 -0.314772D+01  0.115374D+01 -0.103878D+00  0.115757D+01
      3   0.664586D+00  0.115374D+01  0.259814D+00 -0.137996D+01 -0.217192D+01
                81            82            83            84            85 
      1  -0.137996D+01  0.302816D+01  0.404811D+00  0.439938D-01  0.215577D+01
      2  -0.217192D+01  0.404811D+00 -0.110192D+01 -0.310336D+00  0.467262D+01
      3  -0.261887D+00  0.439938D-01 -0.310336D+00 -0.692339D+00  0.522606D+00
                86            87            88            89            90 
      1   0.467262D+01  0.522606D+00  0.797999D+00  0.115831D+01  0.139043D+01
      2   0.991452D+01  0.872453D+00  0.115831D+01  0.285082D+01  0.709958D+01
      3   0.872453D+00  0.391127D+01  0.139043D+01  0.709958D+01  0.113903D+01
                91            92            93            94            95 
      1   0.806231D+01  0.459876D+01 -0.374220D+00  0.462009D+01  0.432624D+01
      2   0.459876D+01  0.319283D+01 -0.232018D+00  0.432624D+01  0.448334D+01
      3  -0.374220D+00 -0.232018D+00  0.577449D+00 -0.583048D+00 -0.487056D+00
                96            97            98            99           100 
      1  -0.583048D+00 -0.360282D+00 -0.446620D+00 -0.407059D-01  0.126191D+02
      2  -0.487056D+00 -0.446620D+00 -0.738498D+00  0.166055D-02 -0.304806D+01
      3   0.514437D+00 -0.407059D-01  0.166055D-02 -0.122906D+00  0.131684D+01
               101           102           103           104           105 
      1  -0.304806D+01  0.131684D+01 -0.309194D+01  0.242552D+01 -0.654538D+00
      2   0.138006D+01 -0.342545D+00  0.242552D+01 -0.137874D+01  0.334325D+00
      3  -0.342545D+00  0.837048D+00 -0.654538D+00  0.334325D+00 -0.334683D+00
               106           107           108           109           110 
      1   0.161796D+01 -0.629998D+00  0.624473D-01 -0.475364D+00  0.132749D+01
      2  -0.629998D+00  0.433603D+00 -0.765118D-01  0.132749D+01 -0.101078D+01
      3   0.624473D-01 -0.765118D-01  0.163059D+00 -0.229748D+00  0.312927D+00
               111           112           113           114           115 
      1  -0.229748D+00  0.105334D+01 -0.501591D+00  0.499431D-01 -0.186627D+00
      2   0.312927D+00 -0.501591D+00  0.977152D+01 -0.179498D+01  0.285295D+00
      3  -0.768202D-01  0.499431D-01 -0.179498D+01  0.104976D+01  0.554831D-01
               116           117           118           119           120 
      1   0.285295D+00  0.554831D-01  0.111479D+01 -0.173024D+01  0.375620D+00
      2  -0.198546D+01  0.453139D+00 -0.173024D+01  0.177477D+01 -0.356174D+00
      3   0.453139D+00 -0.212125D+00  0.375620D+00 -0.356174D+00  0.327435D+00
               121           122           123           124           125 
      1  -0.170618D+01  0.255923D+01 -0.505057D+00  0.200278D+00 -0.548668D+00
      2   0.255923D+01 -0.101964D+02  0.180972D+01 -0.548668D+00  0.197425D+01
      3  -0.505057D+00  0.180972D+01 -0.105735D+01  0.193920D+00 -0.473922D+00
               126           127           128           129           130 
      1   0.193920D+00 -0.372645D+00  0.100290D+01 -0.114619D+01  0.263237D+01
      2  -0.473922D+00  0.100290D+01 -0.607051D+00  0.130342D+00 -0.217336D+01
      3   0.198197D+00 -0.114619D+01  0.130342D+00 -0.735828D+00  0.516572D+00
               131           132           133           134           135 
      1  -0.217336D+01  0.516572D+00 -0.185295D+01  0.972881D+00 -0.174443D+01
      2   0.464315D+01 -0.257441D+01  0.972881D+00 -0.307552D+01  0.352130D+01
      3  -0.257441D+01  0.291464D+01 -0.174443D+01  0.352130D+01 -0.528752D+01
               136           137           138           139           140 
      1   0.666176D+01 -0.549993D+01  0.892062D-01 -0.250849D+01 -0.206581D+01
      2  -0.549993D+01 -0.819346D+00 -0.237801D+01 -0.206581D+01 -0.982395D+00
      3   0.892062D-01 -0.237801D+01 -0.155628D+01 -0.249388D+01 -0.127059D+01
               141           142           143           144           145 
      1  -0.249388D+01  0.525926D+01 -0.432504D+01 -0.238693D+01 -0.627407D+00
      2  -0.127059D+01 -0.432504D+01  0.100098D+01  0.393470D+01 -0.933956D-01
      3   0.367003D+01 -0.238693D+01  0.393470D+01 -0.797347D+00 -0.100742D+01
               146           147           148           149           150 
      1  -0.933956D-01 -0.100742D+01 -0.118023D+00 -0.234086D+00 -0.399784D+00
      2   0.603976D+00  0.357124D+00 -0.234086D+00 -0.147106D+01 -0.173939D+01
      3   0.357124D+00  0.131826D+01 -0.399784D+00 -0.173939D+01 -0.247914D+01
               151           152           153           154           155 
      1  -0.143295D+01 -0.300355D+00 -0.187676D+01 -0.124811D+02  0.145862D+01
      2  -0.300355D+00 -0.170064D+01 -0.204127D+01  0.145862D+01 -0.116809D+01
      3  -0.187676D+01 -0.204127D+01 -0.936464D+01 -0.119791D+01  0.118035D+00
               156           157           158           159           160 
      1  -0.119791D+01  0.263535D+01 -0.152838D+01  0.393008D+00  0.402233D+00
      2   0.118035D+00 -0.152838D+01  0.868768D+00 -0.132641D-01  0.535602D-01
      3  -0.104198D+01  0.393008D+00 -0.132641D-01  0.429788D-01 -0.134063D+01
               161           162           163           164           165 
      1   0.535602D-01 -0.134063D+01 -0.709222D+00 -0.116086D+01 -0.991809D+00
      2   0.261172D+00 -0.439178D-01 -0.116086D+01  0.250444D+00 -0.130714D+00
      3  -0.439178D-01 -0.610958D+00 -0.991809D+00 -0.130714D+00 -0.353623D+00
               166           167           168           169           170 
      1  -0.176761D+01 -0.199968D+01 -0.515560D+00 -0.284995D+01 -0.149868D+01
      2  -0.199968D+01 -0.810538D+01 -0.307907D+01 -0.149868D+01 -0.633405D+01
      3  -0.515560D+00 -0.307907D+01 -0.216695D+01 -0.981401D+00 -0.489867D+01
               171           172           173           174           175 
      1  -0.981401D+00  0.319032D-01 -0.455045D+00  0.836901D+00 -0.142488D+01
      2  -0.489867D+01 -0.455045D+00  0.741288D+00 -0.323131D+00 -0.159591D+01
      3  -0.436399D+01  0.836901D+00 -0.323131D+00  0.161477D+00  0.302322D+00
               176           177           178           179           180 
      1  -0.159591D+01  0.302322D+00  0.165666D+01  0.849358D+00 -0.703844D+00
      2  -0.665976D+01  0.289280D+01  0.849358D+00  0.453477D+01 -0.431301D+01
      3   0.289280D+01 -0.251607D+01 -0.703844D+00 -0.431301D+01  0.403675D+01
               181           182           183           184           185 
      1  -0.858973D+00  0.226363D-01  0.788561D+00 -0.927431D+00  0.175086D+00
      2   0.226363D-01  0.635416D-01  0.324077D+00  0.175086D+00 -0.165223D+01
      3   0.788561D+00  0.324077D+00 -0.412901D-01  0.918593D+00  0.104422D+01
               186           187           188           189           190 
      1   0.918593D+00  0.105313D+01  0.352549D+00 -0.102529D+01 -0.110460D+02
      2   0.104422D+01  0.352549D+00  0.154572D+01 -0.124865D+01  0.514959D+01
      3  -0.313724D+01 -0.102529D+01 -0.124865D+01  0.558294D+01  0.889748D+00
               191           192           193           194           195 
      1   0.514959D+01  0.889748D+00  0.397840D+01 -0.291915D+01 -0.957618D-01
      2  -0.337309D+01 -0.484027D+00 -0.291915D+01  0.302474D+01  0.430133D+00
      3  -0.484027D+00 -0.126523D+01 -0.957618D-01  0.430133D+00  0.279185D+00
               196           197           198           199           200 
      1  -0.189324D+01  0.108428D+01 -0.907771D+00  0.145738D+01  0.161546D+01
      2   0.108428D+01 -0.892300D+00  0.224967D+00  0.161546D+01  0.267184D+01
      3  -0.907771D+00  0.224967D+00 -0.150153D+00  0.461148D+00  0.146330D+01
               201           202           203           204           205 
      1   0.461148D+00  0.181669D+01  0.113283D+01  0.601506D+00  0.286516D-01
      2   0.146330D+01  0.113283D+01  0.556632D+01  0.201927D+01  0.708141D+00
      3   0.145880D+01  0.601506D+00  0.201927D+01  0.126631D+01  0.574669D+00
               206           207 
      1   0.708141D+00  0.574669D+00
      2   0.136695D+01  0.103106D+01
      3   0.103106D+01  0.140987D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.803195D+00 -0.113793D+01 -0.454531D+01 -0.183109D+01  0.106990D+01
      2  -0.166465D+01 -0.713875D+00  0.595777D+01  0.279590D+01  0.280985D+01
      3  -0.409405D+01 -0.140075D+02  0.151633D+01  0.721190D+01 -0.651071D+00
                 6             7             8             9            10 
      1  -0.523440D-01 -0.853769D+01  0.603379D+01 -0.211893D+01 -0.526671D+00
      2   0.757694D+01  0.195940D+01  0.115518D+02 -0.301737D+01  0.566366D+00
      3  -0.256308D+01 -0.195957D+01 -0.357538D+01 -0.443070D+01  0.416278D+01
                11            12            13            14            15 
      1  -0.173777D+00  0.251551D+01 -0.136189D+00  0.206672D+01  0.225795D+01
      2   0.113706D-01  0.905793D+01  0.389060D+01 -0.153392D+01 -0.402834D+01
      3  -0.120053D+02  0.419161D+00  0.123029D+02 -0.498001D+00  0.315913D+01
                16            17            18            19            20 
      1   0.562180D+01  0.110406D+02 -0.200908D+01  0.492122D+00  0.121613D+01
      2   0.904067D+01 -0.672628D+01  0.409314D+01  0.310396D+01 -0.346176D+01
      3  -0.292807D+01  0.228780D+01  0.195003D+01  0.523116D+01 -0.529804D+01
                21            22            23            24            25 
      1   0.354761D+01  0.170949D+00 -0.610387D+00 -0.377758D+01  0.271450D+01
      2  -0.240992D+01 -0.195352D+01 -0.336701D+00  0.364413D+01 -0.145422D+02
      3   0.274530D+01  0.487736D+01 -0.930710D+01 -0.420652D+00  0.319259D+01
                26            27            28            29            30 
      1   0.773671D+00  0.151056D+01 -0.796368D+00 -0.595626D+00  0.171519D+01
      2   0.516059D+01 -0.395766D+01 -0.122573D+01  0.270619D+01 -0.230635D+01
      3  -0.178719D+01 -0.774739D+01 -0.131778D+01  0.124485D+02 -0.121862D+01
                31            32            33            34            35 
      1  -0.570837D+00  0.231646D+01 -0.646872D+00  0.220663D+01  0.952789D+01
      2   0.253136D+01 -0.103473D+01  0.203720D-01 -0.155163D+02  0.180646D+01
      3   0.132917D+02 -0.125047D+02 -0.248511D+01  0.154175D+01  0.310916D+01
                36            37            38            39            40 
      1  -0.733739D+00  0.132025D+01 -0.646269D+00 -0.798625D+00 -0.186170D+01
      2  -0.906772D+00  0.112406D+01  0.791423D+00 -0.175165D+01 -0.298313D+01
      3  -0.212129D+01 -0.687332D+01  0.765253D+01 -0.322477D+01  0.116806D+02
                41            42            43            44            45 
      1  -0.223048D+00 -0.680103D+00 -0.328600D+01  0.786559D+01 -0.672568D+00
      2   0.374776D+01 -0.572937D+00 -0.145164D+02 -0.719431D+00 -0.878138D+00
      3   0.191113D+02  0.124813D+01  0.550371D+00 -0.279411D+01  0.358504D+01
                46            47            48            49            50 
      1  -0.267288D-01  0.703966D+00 -0.196866D+01  0.139051D+01 -0.698076D+00
      2  -0.817941D+00 -0.176343D+01 -0.154914D+01 -0.234481D+01 -0.218420D+01
      3  -0.124188D+01 -0.121930D+02  0.201769D+01 -0.468183D+00  0.627280D+01
                51            52            53            54            55 
      1  -0.356103D+01  0.142595D+01  0.125441D+01  0.734378D+00  0.953870D+00
      2  -0.580775D+01 -0.108073D+02 -0.925465D+01  0.360277D+01 -0.239457D+00
      3   0.105758D+01  0.150156D+01  0.100271D+01  0.740874D+01  0.407038D+01
                56            57            58            59            60 
      1  -0.368932D+01 -0.364323D+01 -0.207968D+01 -0.412479D+01  0.164703D+01
      2  -0.199331D+01  0.152995D+00 -0.431580D+01  0.349629D+00  0.706886D+01
      3  -0.130685D+01  0.251895D+01  0.131502D+02  0.674371D+01  0.758489D+01
                61            62            63            64            65 
      1  -0.788568D+01  0.101579D+02 -0.107536D+00  0.314028D+01  0.209768D+01
      2  -0.123702D+02  0.108520D+02 -0.102084D+00  0.897868D+01 -0.201826D+01
      3  -0.938332D-01  0.754508D+01 -0.579200D+01 -0.120961D+02 -0.813672D+01
                66            67            68            69            70 
      1   0.171598D+01 -0.842214D+00  0.301895D+01  0.216835D+01  0.253742D+01
      2   0.722633D+01 -0.231894D+01  0.210126D+01 -0.634322D+01 -0.286041D+01
      3  -0.374194D+01 -0.650881D+01  0.268591D+01 -0.556188D+01  0.631815D+00
                71            72            73            74            75 
      1   0.994087D+00 -0.225003D+01  0.538875D+00  0.122769D+01  0.952125D+00
      2  -0.115066D+02 -0.183335D+02  0.174837D+01 -0.103421D+01  0.645330D+01
      3  -0.314999D+01  0.865511D+01  0.142570D+02 -0.632611D+01  0.108679D+01
                76            77            78            79            80 
      1  -0.901887D+00  0.164587D+01 -0.824059D+01 -0.487311D+01  0.214315D+01
      2   0.148345D+00 -0.417138D+01 -0.596090D+00 -0.350009D+01  0.591107D+01
      3   0.422278D+01 -0.548152D+01  0.537649D+01 -0.219441D+01  0.791619D+01
                81            82            83            84            85 
      1   0.392323D+01  0.180721D+00  0.376098D+00 -0.398057D+01  0.170510D+01
      2  -0.565143D+00 -0.285096D+01  0.508474D+00 -0.264595D+01  0.376801D+00
      3  -0.269616D+01 -0.620521D+01 -0.203053D+00 -0.116313D+01  0.769585D+01
                86            87            88            89            90 
      1   0.250614D+01  0.103105D+02  0.739818D+01  0.243161D+02  0.207618D+01
      2  -0.404302D+00 -0.788336D+00 -0.616103D+01 -0.554333D+01 -0.400913D+00
      3  -0.710771D+01 -0.824144D+00 -0.395645D+01 -0.309311D+01  0.379653D+01
                91            92            93            94            95 
      1  -0.223707D+00 -0.387901D+00 -0.227243D+01  0.323920D+00 -0.952072D-01
      2   0.468272D+00  0.262462D+00  0.393869D+01 -0.974166D+00 -0.838036D+00
      3  -0.279070D+01 -0.628141D+01  0.997351D-01 -0.542669D+01 -0.936395D+01
                96            97            98            99           100 
      1  -0.239638D+01  0.129440D+01  0.113236D+01  0.236491D+00  0.254421D+00
      2   0.307337D+01 -0.186013D+01 -0.106986D+01 -0.259346D+00  0.198500D+01
      3   0.742739D+00  0.946893D+00  0.131676D+01  0.760250D-01  0.261595D+01
               101           102           103           104           105 
      1   0.391098D+00  0.144057D+01 -0.851883D-01 -0.164566D+00 -0.919822D+00
      2  -0.556688D+00  0.584192D+01 -0.183077D+01  0.853639D+00 -0.204138D+01
      3  -0.593645D+01  0.347052D+00 -0.515016D+01  0.382581D+01 -0.727552D+00
               106           107           108           109           110 
      1  -0.849237D+00  0.534485D+00  0.196879D+00 -0.314799D+00  0.114731D+00
      2  -0.264994D+01  0.654802D+00  0.581140D+00 -0.738096D+00  0.680747D+00
      3   0.917739D+00 -0.120639D+01  0.160016D+00 -0.459570D+01  0.365814D+01
               111           112           113           114           115 
      1   0.627922D+00  0.401389D+00 -0.936206D+00 -0.457296D+01 -0.262885D+00
      2   0.488320D-01  0.104264D+01 -0.261016D+01  0.886201D+00 -0.143613D+01
      3  -0.651471D+00  0.632541D+01 -0.156664D+02  0.293630D+01 -0.137626D+01
               116           117           118           119           120 
      1   0.215218D+01  0.524125D+00  0.751620D-02 -0.181352D+00  0.105446D+01
      2   0.372168D+00  0.414762D-01  0.464327D+00 -0.291371D+00  0.878835D+00
      3   0.328908D+01 -0.245692D+00  0.181292D+01 -0.962272D+00  0.192004D+00
               121           122           123           124           125 
      1  -0.332609D+00 -0.233518D+00 -0.467596D+01 -0.481995D-01  0.183106D+01
      2  -0.147221D+00  0.341854D+01 -0.252913D+01 -0.124890D+01  0.166952D-01
      3   0.139059D+01  0.172710D+02 -0.296668D+01 -0.182814D+00 -0.344691D+01
               126           127           128           129           130 
      1   0.656741D+00  0.979405D+00  0.387598D+00  0.102457D+01 -0.272073D+00
      2   0.281203D+00  0.157660D+01 -0.776558D-01  0.142034D+01  0.916218D+00
      3   0.618624D-01  0.234314D+01 -0.231006D+01 -0.125667D+01  0.208657D+01
               131           132           133           134           135 
      1  -0.908453D-01 -0.424936D+01  0.243324D+01 -0.140718D+00  0.504768D+01
      2   0.270412D+01 -0.441270D+01 -0.514058D+00 -0.467057D+01  0.686898D+01
      3   0.551306D+01 -0.416138D+01 -0.211948D+01 -0.561966D+01  0.484822D+01
               136           137           138           139           140 
      1  -0.674030D+01  0.294135D+01  0.837567D+00  0.594635D+01 -0.586301D+00
      2  -0.757490D+01  0.119587D+02  0.620143D+01  0.110966D+02  0.291452D+01
      3   0.239743D+01 -0.178050D+02 -0.525960D+01 -0.102587D+02 -0.803570D+01
               141           142           143           144           145 
      1  -0.137068D+02  0.112391D+01 -0.836684D+01  0.551295D+01  0.327122D-01
      2  -0.488935D+01  0.321899D+01 -0.581938D+01  0.317024D+01  0.245831D+01
      3  -0.927053D+01 -0.210456D+01 -0.992417D+01  0.461381D+01  0.866239D+00
               146           147           148           149           150 
      1  -0.180492D+01  0.155944D+00 -0.261930D+00  0.267951D+01  0.486904D-01
      2  -0.444114D+00 -0.326800D+01 -0.735088D+00  0.373581D+01  0.519618D+01
      3   0.197816D+01  0.655438D+00  0.288501D+01 -0.378332D+01 -0.359864D+01
               151           152           153           154           155 
      1   0.487906D-01  0.556519D+01  0.735025D+00 -0.112128D+01  0.148694D+01
      2  -0.109282D+01  0.463926D+01  0.209054D+02 -0.794788D+01  0.937737D+00
      3   0.600737D+00 -0.521756D+01 -0.313195D+01  0.489053D+01 -0.767208D+01
               156           157           158           159           160 
      1   0.234789D+00  0.129825D+01 -0.112580D+01 -0.910328D+00 -0.426891D+00
      2   0.524285D+01  0.137051D+01 -0.107418D+01 -0.434853D+00  0.263222D+01
      3   0.435433D+00 -0.293878D+01  0.350971D+01  0.519963D+00  0.691413D+00
               161           162           163           164           165 
      1   0.477024D+00  0.455894D+00 -0.283663D+01  0.133268D-01 -0.744976D+00
      2   0.365741D+00  0.399866D+00 -0.490199D+00 -0.237754D+00  0.178098D+01
      3   0.143564D+01 -0.178623D+00  0.235444D+01  0.149755D+01  0.303399D+01
               166           167           168           169           170 
      1  -0.196660D+01 -0.620416D+01 -0.786092D+01 -0.317852D+01 -0.103358D+02
      2   0.806717D-02  0.126321D+01  0.132363D+01 -0.261667D+00  0.262908D+01
      3   0.389832D+01 -0.259864D+01 -0.144692D+01  0.810459D+01 -0.748740D+00
               171           172           173           174           175 
      1  -0.116219D+02  0.178680D+01 -0.229543D+00  0.552865D+00  0.126420D+01
      2   0.180985D+01  0.203037D-01  0.303800D+00  0.526011D+00  0.550885D+00
      3  -0.238976D+01 -0.647126D+00 -0.154711D+01 -0.223252D+01  0.308108D+01
               176           177           178           179           180 
      1   0.514177D+01 -0.731406D+01 -0.223871D+01 -0.828372D+01  0.100330D+02
      2  -0.254308D+01  0.204855D+01 -0.126501D+01  0.292768D+01 -0.308631D+01
      3  -0.205770D+01  0.254789D+01 -0.471413D+01  0.304342D+01 -0.329405D+01
               181           182           183           184           185 
      1  -0.143102D+01 -0.366236D+00  0.696022D+00 -0.132951D+01 -0.704263D+01
      2  -0.585540D+00 -0.547569D+00 -0.379350D-01  0.582906D-01 -0.233652D+01
      3  -0.128448D+01 -0.312500D+00  0.177792D+01 -0.162308D+00 -0.437573D+01
               186           187           188           189           190 
      1   0.654970D+01  0.204040D+01  0.717780D+01 -0.121977D+02  0.205052D+01
      2   0.576690D+01 -0.178146D+01  0.273022D+01 -0.997014D+01  0.736388D+01
      3   0.374885D+01  0.241121D+01  0.451158D+01 -0.489459D+01 -0.130142D+02
               191           192           193           194           195 
      1  -0.214786D+01  0.372785D+01 -0.195013D+01  0.170997D+01 -0.123622D+01
      2  -0.287861D+01  0.554980D+01 -0.313450D+01  0.975021D+00 -0.175305D+01
      3  -0.102985D+00  0.375964D+00  0.376314D+01  0.163482D+01  0.867873D+00
               196           197           198           199           200 
      1   0.200372D+01  0.295892D+00  0.427004D+00  0.147681D+01  0.404133D+00
      2   0.125235D+01 -0.481174D+00  0.111952D+01 -0.434519D+01 -0.404538D+01
      3  -0.107939D+01  0.596638D+00 -0.177211D+01  0.105066D+02  0.824538D+01
               201           202           203           204           205 
      1  -0.284516D+01  0.543396D+00  0.188328D+01 -0.254979D+01 -0.610052D+00
      2  -0.194016D+01 -0.404825D+01 -0.580615D+01 -0.240798D+01 -0.234036D+01
      3   0.342900D+01  0.967094D+01  0.135227D+02  0.561550D+01  0.161829D+01
               206           207 
      1   0.780232D+00 -0.226068D+01
      2  -0.248564D+01 -0.277489D+01
      3   0.450917D+01  0.353892D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106763D+01 -0.196824D+02  0.310405D+01  0.338367D+02 -0.109115D+01
      2  -0.354006D+01  0.131978D+02  0.215826D+01 -0.324954D+02 -0.305334D+01
      3   0.460770D+01  0.648456D+01 -0.526232D+01 -0.134131D+01  0.414449D+01
      4  -0.186856D+02  0.160008D+02 -0.421654D+01 -0.267027D+01 -0.179850D+02
      5  -0.273058D+01 -0.249650D+01  0.129723D+02  0.760741D+01  0.720513D+01
      6  -0.239507D+01 -0.154089D+01  0.102541D+02  0.724482D+01  0.299554D+01
                 6             7             8             9            10 
      1   0.141752D+01 -0.894788D+01 -0.158635D+01  0.108256D+02 -0.564240D+01
      2  -0.318353D+01  0.103803D+02  0.433219D+01 -0.146251D+02  0.182407D+01
      3   0.176601D+01 -0.143241D+01 -0.274584D+01  0.379942D+01  0.381833D+01
      4   0.105055D+02  0.328895D+01  0.964840D+01  0.153286D+02  0.104735D+02
      5   0.164042D+02  0.306044D+02  0.167171D+02 -0.718361D+01 -0.659068D+01
      6   0.138861D+01  0.929785D+01  0.110314D+02  0.251013D+01 -0.102408D+00
                11            12            13            14            15 
      1   0.781546D+01 -0.699580D+01 -0.229960D+02 -0.206120D+02  0.646063D+01
      2  -0.423848D+01  0.189713D+01  0.211009D+02  0.198047D+02 -0.798779D+01
      3  -0.357698D+01  0.509867D+01  0.189511D+01  0.807341D+00  0.152716D+01
      4   0.248655D+02  0.831530D+00 -0.211322D+02  0.149090D+02 -0.843539D+01
      5   0.186717D+01  0.196664D+02  0.115652D+02 -0.449339D+01 -0.928023D+01
      6  -0.199716D+00 -0.563829D+01 -0.581053D+01 -0.228823D+01 -0.453250D+01
                16            17            18            19            20 
      1  -0.330144D+01  0.749101D+01  0.173065D+02  0.103639D+02 -0.261150D+01
      2  -0.238973D+01 -0.485174D+01 -0.208089D+02 -0.675005D+01 -0.452875D+00
      3   0.569117D+01 -0.263927D+01  0.350243D+01 -0.361388D+01  0.306438D+01
      4   0.125797D+02 -0.495148D+01 -0.584265D+01  0.549836D+01 -0.264966D+02
      5   0.382815D+02 -0.881147D+01  0.817731D+01  0.436795D+01  0.186400D+01
      6  -0.407780D+01  0.615569D+01  0.285364D+01  0.172649D+01 -0.112732D+01
                21            22            23            24            25 
      1   0.117923D+01  0.682324D+01  0.102745D+02 -0.517902D+01  0.969958D+00
      2  -0.279327D+01 -0.230485D+00 -0.169382D+02  0.794692D+01 -0.177699D+01
      3   0.161404D+01 -0.659276D+01  0.666372D+01 -0.276790D+01  0.807033D+00
      4   0.335213D+01  0.202233D+02  0.100638D+02  0.402144D+00 -0.156518D+01
      5  -0.662261D+01 -0.149677D+01  0.542342D-01  0.548443D+01  0.323650D+01
      6  -0.660696D+01 -0.231290D+01  0.112084D+02  0.675098D+01  0.110593D+01
                26            27            28            29            30 
      1  -0.431910D+01 -0.138190D+02 -0.352332D+02  0.150680D+02 -0.196852D+01
      2   0.991861D+01  0.242724D-02  0.212033D+02 -0.799767D+01 -0.169918D+00
      3  -0.559951D+01  0.138166D+02  0.140299D+02 -0.707029D+01  0.213843D+01
      4  -0.299033D+01  0.121094D+02 -0.126595D+02  0.112463D+02 -0.106649D+00
      5   0.112936D+02 -0.837288D+01 -0.352437D+01  0.134313D+01 -0.262034D+01
      6   0.136266D+02 -0.533086D+01  0.312024D+01  0.118109D+00 -0.244873D+01
                31            32            33            34            35 
      1   0.190318D+02 -0.425359D-01  0.103997D+01 -0.843529D+01  0.272684D+01
      2  -0.975207D+01  0.354862D+01 -0.304395D+01 -0.260268D+00 -0.986667D+00
      3  -0.927974D+01 -0.350608D+01  0.200398D+01  0.869556D+01 -0.174018D+01
      4  -0.118729D+01  0.339643D+01 -0.797342D+00  0.496173D+01 -0.248758D+01
      5   0.273903D+01 -0.384757D+00 -0.503556D+00  0.176920D+01  0.227617D+00
      6  -0.618872D+01 -0.251052D+01  0.297349D+01 -0.935915D+00  0.849812D+01
                36            37            38            39            40 
      1  -0.115625D+02 -0.154756D+02 -0.286708D+02  0.249832D+01 -0.214637D+02
      2   0.420668D+00  0.137024D+02  0.205987D+02  0.640932D+00  0.102643D+02
      3   0.111418D+02  0.177322D+01  0.807202D+01 -0.313925D+01  0.111994D+02
      4  -0.278480D+01 -0.405763D+01 -0.538472D+00 -0.585735D+00 -0.249626D+01
      5  -0.954700D+00  0.300067D+01  0.163884D+01 -0.160420D+01  0.451800D+00
      6   0.268287D+00 -0.237220D+01 -0.136451D+00  0.100209D+01  0.826555D+01
                41            42            43            44            45 
      1  -0.135861D+02  0.260355D+00  0.206951D+01 -0.177459D+01 -0.151927D+02
      2   0.144333D+02 -0.862994D+00  0.205426D+01  0.197213D+01  0.456086D+01
      3  -0.847205D+00  0.602639D+00 -0.412377D+01 -0.197539D+00  0.106318D+02
      4  -0.389710D+01  0.264714D+01  0.141016D+01  0.177352D+01 -0.186198D+01
      5   0.305605D+01 -0.351906D+00  0.242800D+01 -0.297830D+01 -0.179590D+00
      6  -0.625466D+00  0.122469D+01 -0.117119D+01  0.118725D+02  0.162050D+01
                46            47            48            49            50 
      1   0.102518D+02  0.182808D+02  0.276550D+00 -0.218374D+02  0.146150D+02
      2  -0.105517D+02 -0.123982D+02  0.856986D+00  0.184460D+02 -0.220763D+02
      3   0.299865D+00 -0.588261D+01 -0.113354D+01  0.339136D+01  0.746126D+01
      4   0.625042D+01 -0.192517D+02  0.407745D+01  0.138392D+02 -0.219954D+01
      5  -0.349746D+01  0.177064D+01 -0.552471D+01 -0.722679D+00 -0.472575D+01
      6   0.441562D+01 -0.150100D+01  0.315541D+01 -0.280552D+01  0.111730D+02
                51            52            53            54            55 
      1  -0.435360D+01  0.396689D+01 -0.215822D+01 -0.686882D+01  0.244594D+02
      2   0.777106D+01 -0.481559D+01  0.934682D+01 -0.402419D+01 -0.119354D+02
      3  -0.341746D+01  0.848704D+00 -0.718860D+01  0.108930D+02 -0.125240D+02
      4  -0.446789D+01  0.852290D+00 -0.782656D+01 -0.153706D+02 -0.269850D+01
      5  -0.109965D+02  0.829118D+01 -0.158318D+02  0.690567D+01  0.221604D+01
      6   0.721429D+01 -0.499277D+01  0.130969D+02 -0.328048D+01 -0.425609D+01
                56            57            58            59            60 
      1  -0.160781D+02 -0.448523D+01 -0.218973D+02  0.542767D+01 -0.932240D+01
      2   0.124552D+02  0.525850D+01  0.141083D+02  0.109775D+01  0.820840D+01
      3   0.362284D+01 -0.773274D+00  0.778897D+01 -0.652542D+01  0.111400D+01
      4  -0.891060D+01 -0.487654D+01 -0.158816D+02  0.978461D+01 -0.579926D+01
      5  -0.692829D+01 -0.848521D+01 -0.100510D+02 -0.737332D+01  0.146904D+02
      6   0.454394D+01  0.551072D+01  0.901697D+00  0.795116D+01 -0.183798D+02
                61            62            63            64            65 
      1  -0.816065D+00 -0.810713D+01  0.119365D+02 -0.505972D+02  0.152148D+02
      2   0.541489D+01  0.242303D+00 -0.108949D+02  0.256945D+02 -0.104382D+02
      3  -0.459883D+01  0.786483D+01 -0.104158D+01  0.249026D+02 -0.477659D+01
      4  -0.142988D+02  0.341317D+01  0.225175D+02  0.161934D+02  0.423191D+01
      5  -0.179780D+02  0.213271D+02 -0.252402D+01 -0.762242D+01  0.658218D+01
      6   0.186349D+02 -0.258409D+02  0.101766D+02  0.260999D+01  0.178209D+01
                66            67            68            69            70 
      1  -0.574420D+01  0.215623D+02  0.852163D+01  0.993079D+01  0.189741D+01
      2  -0.254599D+01 -0.132190D+02 -0.120516D+02 -0.494045D+00  0.188876D+01
      3   0.829020D+01 -0.834333D+01  0.352996D+01 -0.943675D+01 -0.378616D+01
      4   0.437647D+01 -0.202903D+01 -0.404516D-01  0.713744D+01  0.609723D+01
      5   0.840752D+01  0.113664D+02  0.862708D+01 -0.430172D+01 -0.295905D+01
      6   0.535554D+00  0.274363D+01 -0.978801D+00 -0.516549D+01 -0.310278D+01
                71            72            73            74            75 
      1   0.288845D+01  0.147798D+02  0.315774D+02  0.105606D+02  0.113655D+01
      2   0.101799D+02  0.173497D+02 -0.174257D+02 -0.806141D+01 -0.195316D+01
      3  -0.130684D+02 -0.321295D+02 -0.141517D+02 -0.249915D+01  0.816608D+00
      4   0.115019D+00 -0.147616D+02  0.136027D+02  0.112316D+02 -0.539610D+01
      5  -0.142909D+02 -0.290645D+02 -0.591740D+01 -0.330740D+01  0.996324D+01
      6  -0.746640D+00 -0.118088D+02 -0.954425D+00 -0.870633D+01 -0.523057D+01
                76            77            78            79            80 
      1  -0.891553D+01 -0.742699D+01  0.802516D-01 -0.711122D+01 -0.104017D+01
      2   0.100818D+02  0.159284D+02  0.252392D+01  0.449462D+01 -0.319401D+01
      3  -0.116627D+01 -0.850143D+01 -0.260417D+01  0.261659D+01  0.423418D+01
      4   0.128413D+02  0.102028D+02 -0.660262D+01 -0.619746D+01 -0.626216D+01
      5  -0.549641D+01 -0.585342D+01 -0.357393D+01  0.110654D+02  0.787920D+01
      6  -0.544563D+00 -0.236234D+01  0.112416D+02  0.397306D+01  0.111476D+02
                81            82            83            84            85 
      1  -0.819083D+01 -0.129195D+02 -0.453971D+01 -0.452292D+00  0.233220D+02
      2  -0.486360D+01  0.985472D+01  0.703579D+01  0.293725D+01 -0.206297D+02
      3   0.130544D+02  0.306477D+01 -0.249608D+01 -0.248496D+01 -0.269223D+01
      4   0.959223D+01  0.314646D+00 -0.339699D+01  0.253310D+01 -0.109182D+01
      5  -0.156860D+01 -0.187017D+01  0.119853D+01 -0.827461D+01 -0.288445D+01
      6  -0.196036D+01 -0.865577D+00  0.154022D+01  0.939149D+01 -0.406682D+01
                86            87            88            89            90 
      1   0.452865D+02  0.227301D+01  0.650096D+01  0.828252D+01  0.343175D+02
      2  -0.425149D+02 -0.293813D+01 -0.654363D+01 -0.116089D+02 -0.325244D+02
      3  -0.277162D+01  0.665122D+00  0.426738D-01  0.332638D+01 -0.179309D+01
      4  -0.792906D+01 -0.292033D+01 -0.350803D+01 -0.514471D+01 -0.931289D+01
      5  -0.389718D+01 -0.433679D+01 -0.335930D+01 -0.112985D+02 -0.184316D+01
      6  -0.565486D+01 -0.291517D+02 -0.939829D+01 -0.488833D+02 -0.497881D+01
                91            92            93            94            95 
      1   0.497816D+02  0.247799D+02 -0.230074D+01  0.206220D+02  0.148374D+02
      2  -0.194044D+02 -0.672220D+01  0.102994D+01 -0.123649D+01  0.361711D+01
      3  -0.303771D+02 -0.180577D+02  0.127080D+01 -0.193855D+02 -0.184545D+02
      4   0.469159D+02  0.329192D+02 -0.222321D+01  0.394405D+02  0.380457D+02
      5  -0.535975D+01 -0.274972D+01  0.700206D+01 -0.550140D+01 -0.476700D+01
      6  -0.822217D+00 -0.701082D+00  0.280190D+01 -0.245066D+01 -0.208508D+01
                96            97            98            99           100 
      1  -0.192164D+01 -0.731490D+00 -0.628377D+00  0.336882D+00  0.968516D+02
      2   0.900296D+00 -0.857569D+00 -0.106769D+01  0.616657D+00 -0.533195D+02
      3   0.102134D+01  0.158906D+01  0.169607D+01 -0.953540D+00 -0.435320D+02
      4  -0.394409D+01 -0.429880D+01 -0.403117D+01  0.199819D+01 -0.331000D+02
      5   0.464931D+01  0.157376D+01  0.892484D+00 -0.607963D+00  0.125677D+02
      6   0.411964D+01  0.841312D+00  0.159388D+01 -0.103912D+01 -0.579951D+00
               101           102           103           104           105 
      1  -0.219802D+02  0.880113D+01 -0.201600D+02  0.139385D+02 -0.336566D+01
      2   0.109406D+02 -0.576757D+01  0.854971D+01 -0.556286D+01  0.227825D+01
      3   0.110396D+02 -0.303356D+01  0.116103D+02 -0.837564D+01  0.108740D+01
      4   0.159652D+02 -0.322095D+01  0.236317D+02 -0.128091D+02  0.293728D+01
      5  -0.296236D+01  0.100517D+02 -0.560322D+01  0.297933D+01 -0.308709D+01
      6   0.716868D+00 -0.157667D+01  0.164556D+01 -0.714989D+00  0.237664D+01
               106           107           108           109           110 
      1   0.103284D+02 -0.326350D+01  0.244010D+01 -0.404114D+01  0.641437D+01
      2  -0.541070D+01  0.143068D+01 -0.119617D+01  0.549988D+01 -0.584213D+01
      3  -0.491771D+01  0.183281D+01 -0.124394D+01 -0.145874D+01 -0.572236D+00
      4  -0.653270D+01  0.307873D+01 -0.192688D+01  0.866369D+00  0.726683D+01
      5   0.260617D+01 -0.747155D+00  0.194715D+01 -0.343515D+00 -0.670622D+00
      6  -0.571566D+00  0.994714D+00 -0.826788D+00 -0.157358D+01  0.223055D+01
               111           112           113           114           115 
      1  -0.186495D+01  0.358496D+01 -0.380864D+02  0.739746D+01 -0.125088D+01
      2   0.128216D+01 -0.276305D+01  0.528035D+02 -0.773793D+01  0.140964D+01
      3   0.582791D+00 -0.821906D+00 -0.147171D+02  0.340471D+00 -0.158768D+00
      4  -0.842432D+00  0.527888D+01  0.192400D+02 -0.401974D+01 -0.882007D+00
      5   0.153448D+01 -0.766370D+00 -0.474796D+01  0.201599D+01  0.571641D+00
      6  -0.867289D+00  0.233249D+00 -0.140410D+02  0.891544D+01 -0.212339D+00
               116           117           118           119           120 
      1   0.771211D+01 -0.308858D+01  0.139629D+01 -0.310938D+01  0.553538D+00
      2  -0.953671D+01  0.360843D+01  0.354521D+01 -0.284841D+01  0.161323D+00
      3   0.182460D+01 -0.519849D+00 -0.494150D+01  0.595780D+01 -0.714862D+00
      4  -0.305207D+01 -0.197557D+00 -0.110684D+02  0.161672D+02 -0.293077D+01
      5   0.479544D+00 -0.883453D-02  0.184282D+01 -0.263719D+01  0.293037D+01
      6   0.527719D+01 -0.296866D+01 -0.190326D+01  0.192823D+01 -0.180266D+01
               121           122           123           124           125 
      1   0.166970D+01 -0.250540D+02  0.435747D+01  0.178314D+00  0.449229D+01
      2  -0.890952D+01  0.454769D+02 -0.565604D+01  0.882270D+00 -0.756223D+01
      3   0.723982D+01 -0.204230D+02  0.129856D+01 -0.106058D+01  0.306994D+01
      4   0.178537D+02 -0.438088D+02  0.776025D+01 -0.358795D+01  0.899395D+01
      5  -0.295580D+01  0.693076D+01 -0.451723D+01  0.128172D+01 -0.178240D+01
      6   0.308621D+01 -0.116065D+02  0.857435D+01 -0.128278D+01  0.529721D+01
               126           127           128           129           130 
      1  -0.266522D+01  0.926490D+00 -0.142888D+01  0.261478D+01  0.479861D+01
      2   0.354747D+01 -0.680252D+00  0.246515D+00 -0.200989D+01 -0.476124D+01
      3  -0.882251D+00 -0.246238D+00  0.118237D+01 -0.604886D+00 -0.373631D-01
      4  -0.202740D+01 -0.475961D+01  0.773412D+01 -0.386003D+01  0.110806D+02
      5   0.125372D+01  0.491904D+01 -0.305789D+01  0.802212D+01 -0.319486D+01
      6  -0.287980D+01 -0.563202D+01  0.127169D+01 -0.208356D+01  0.438325D+01
               131           132           133           134           135 
      1  -0.148866D+02  0.914561D+01 -0.801088D+00  0.113926D+02 -0.160993D+02
      2   0.150755D+02 -0.804562D+01 -0.740810D+00 -0.516751D+01  0.336899D+00
      3  -0.188942D+00 -0.109999D+01  0.154190D+01 -0.622505D+01  0.157624D+02
      4  -0.156805D+02  0.747890D+01 -0.573573D+01  0.965356D+01 -0.109134D+02
      5   0.783384D+01 -0.959827D+01  0.106658D+02 -0.112503D+02  0.161420D+02
      6  -0.166963D+02  0.181562D+02 -0.824127D+01  0.194421D+02 -0.237755D+02
               136           137           138           139           140 
      1  -0.232787D+02  0.324830D+02  0.826829D+01  0.311434D+02  0.632245D+01
      2  -0.817621D+01 -0.183201D+02 -0.100907D+02 -0.157511D+02 -0.930232D+01
      3   0.314549D+02 -0.141629D+02  0.182238D+01 -0.153924D+02  0.297987D+01
      4   0.431482D+02 -0.187654D+02  0.548017D+01 -0.927618D+01 -0.251696D+01
      5   0.509667D+01  0.316420D+00  0.581271D+01  0.348282D+01  0.666144D+00
      6  -0.320924D+01 -0.113063D+02 -0.711849D+01 -0.105740D+02 -0.615020D+01
               141           142           143           144           145 
      1   0.282735D+01  0.612075D+01  0.262143D+01 -0.294597D+01  0.329452D+01
      2  -0.190983D+02 -0.954614D+01 -0.119529D+02  0.146009D+02 -0.425391D+01
      3   0.162709D+02  0.342539D+01  0.933146D+01 -0.116550D+02  0.959385D+00
      4  -0.383594D+00  0.197063D+02 -0.930843D+01 -0.198941D+02  0.350214D+00
      5  -0.170846D+02  0.120050D+02 -0.198375D+02  0.112970D+01  0.421092D+01
      6   0.764948D+01 -0.158100D+02  0.125939D+02  0.631691D+01  0.134845D+01
               146           147           148           149           150 
      1   0.821766D+00  0.807176D+01  0.456496D+00 -0.668915D+01 -0.664424D+01
      2   0.427531D+00  0.253982D+00 -0.139947D+01  0.152436D+01 -0.208281D+01
      3  -0.124930D+01 -0.832575D+01  0.942977D+00  0.516480D+01  0.872705D+01
      4  -0.104709D+01  0.597711D+00  0.362472D+01  0.619208D+01  0.718710D+01
      5  -0.130236D-01  0.718785D+00  0.354607D+01  0.628584D+01  0.997374D+01
      6  -0.837330D+00 -0.150315D+01  0.155996D+01  0.720600D+01  0.125933D+02
               151           152           153           154           155 
      1   0.416139D+01 -0.419703D+01 -0.178819D+02  0.808426D+02 -0.937278D+01
      2  -0.812439D+01 -0.319452D+01 -0.244145D+02 -0.457630D+02  0.518566D+01
      3   0.396299D+01  0.739155D+01  0.422964D+02 -0.350797D+02  0.418712D+01
      4   0.262299D+01  0.795061D+01  0.907826D+01 -0.884866D+01  0.104714D+02
      5   0.139787D+02  0.823228D+01  0.378613D+02  0.183245D+02 -0.228280D+01
      6   0.257974D+01  0.742416D+01  0.131372D+02 -0.136190D+01  0.125250D+01
               156           157           158           159           160 
      1   0.651657D+01 -0.153852D+02  0.798048D+01 -0.254033D+01 -0.184648D+01
      2  -0.573926D+01  0.860869D+01 -0.293666D+01  0.103579D+01 -0.649635D+00
      3  -0.777308D+00  0.677653D+01 -0.504382D+01  0.150454D+01  0.249611D+01
      4  -0.655729D+00  0.135143D+02 -0.592042D+01  0.587434D+00 -0.502018D+00
      5   0.108204D+02 -0.500969D+01  0.134498D+01 -0.177182D+01  0.114785D+02
      6  -0.365811D+00  0.235026D+01 -0.127191D+01  0.237333D+01 -0.940567D+00
               161           162           163           164           165 
      1  -0.256514D+00  0.598361D+01 -0.838414D+00  0.269194D+01  0.716673D+00
      2  -0.797836D+00 -0.589889D+01  0.185491D+01 -0.238018D+01 -0.152915D+01
      3   0.105435D+01 -0.847180D-01 -0.101650D+01 -0.311758D+00  0.812479D+00
      4  -0.901289D+00 -0.419278D+00  0.333767D+01  0.858234D+01  0.489162D+01
      5  -0.795402D+00  0.356803D+01  0.201279D+01  0.339223D+01  0.617837D+01
      6   0.130380D+01  0.261004D+00  0.689110D+01  0.901195D+00  0.149673D+01
               166           167           168           169           170 
      1  -0.508701D+01 -0.347070D+02 -0.123204D+02 -0.300754D+01 -0.275952D+02
      2   0.690771D+01  0.437071D+02  0.150152D+02  0.372604D+01  0.288226D+02
      3  -0.182070D+01 -0.900008D+01 -0.269481D+01 -0.718491D+00 -0.122747D+01
      4   0.737700D+01  0.117670D+02  0.439157D+01  0.873910D+01  0.902534D+01
      5   0.282199D+01  0.460119D+01  0.351560D+01  0.586314D+01  0.815299D+01
      6   0.392426D+01  0.236023D+02  0.184236D+02  0.753749D+01  0.348972D+02
               171           172           173           174           175 
      1  -0.235868D+02  0.417964D+00  0.386336D+01 -0.330415D+01 -0.505898D+01
      2   0.181403D+02  0.373000D-01 -0.397451D+01  0.209217D+01  0.584346D+01
      3   0.544654D+01 -0.455264D+00  0.111154D+00  0.121198D+01 -0.784479D+00
      4   0.683950D+01  0.866021D+00  0.700799D+01 -0.448544D+01  0.559526D+01
      5   0.628854D+01 -0.103676D+01 -0.269306D+01  0.401689D+01 -0.155606D+01
      6   0.271957D+02 -0.535422D+01  0.257458D+01 -0.140003D+01 -0.252711D+01
               176           177           178           179           180 
      1  -0.289285D+02  0.129774D+02  0.138841D+01  0.208889D+02 -0.219871D+02
      2   0.347657D+02 -0.145111D+02 -0.158070D+01 -0.200972D+02  0.154358D+02
      3  -0.583718D+01  0.153366D+01  0.192287D+00 -0.791745D+00  0.655129D+01
      4   0.841641D+01 -0.330999D+01 -0.592346D+01 -0.556801D+01  0.520020D+01
      5  -0.416987D+01  0.392041D+01  0.414130D+01  0.684945D+01 -0.558037D+01
      6  -0.208677D+02  0.185978D+02  0.576029D+01  0.289771D+02 -0.240178D+02
               181           182           183           184           185 
      1   0.386871D+01 -0.191757D+01 -0.437532D+01  0.821918D+00 -0.743909D+00
      2  -0.343599D+01  0.494043D+00  0.391316D+01 -0.247700D+01 -0.544930D+01
      3  -0.432720D+00  0.142353D+01  0.462162D+00  0.165508D+01  0.619321D+01
      4  -0.281747D+01  0.242060D+01  0.291707D+00 -0.200219D+00  0.767778D+01
      5  -0.491572D+01 -0.154503D+01  0.480953D+01 -0.586692D+01 -0.367878D+01
      6   0.733168D+00  0.116218D+01  0.677027D+00  0.148647D+01 -0.231530D+01
               186           187           188           189           190 
      1   0.205012D+01 -0.386270D+01 -0.805199D+00 -0.802725D+01  0.461257D+02
      2   0.123571D+02  0.610255D+01  0.101727D+02 -0.200328D+02 -0.976858D+01
      3  -0.144072D+02 -0.223986D+01 -0.936754D+01  0.280600D+02 -0.363571D+02
      4  -0.367913D+01  0.115951D+01 -0.580422D+01  0.550849D+01 -0.543824D+02
      5   0.123591D+02  0.868024D+01  0.505915D+01 -0.209376D+02 -0.150820D+02
      6  -0.202686D+01 -0.137942D+01  0.274999D+01  0.755307D+01  0.622779D+01
               191           192           193           194           195 
      1  -0.148333D+02 -0.202351D+00 -0.106181D+02  0.291269D+01 -0.996545D+00
      2  -0.387649D+01  0.213203D+01 -0.478337D+01  0.984521D+01  0.134344D+01
      3   0.187098D+02 -0.192968D+01  0.154015D+02 -0.127579D+02 -0.346893D+00
      4   0.335519D+02  0.339911D+01  0.277247D+02 -0.230877D+02 -0.157638D+01
      5   0.699561D+01  0.100750D+02  0.478449D+01 -0.367293D+01 -0.270649D+01
      6  -0.454443D+01 -0.664120D+01 -0.247118D+01  0.409076D+01  0.377240D+01
               196           197           198           199           200 
      1   0.458353D+01 -0.124881D+01  0.379399D+01 -0.674382D+01 -0.173532D+02
      2   0.166711D+01 -0.143461D+01 -0.260435D+01  0.962829D+01  0.187609D+02
      3  -0.625063D+01  0.268343D+01 -0.118964D+01 -0.288447D+01 -0.140769D+01
      4  -0.796315D+01  0.529628D+01 -0.408558D+01  0.257246D+01  0.259714D+01
      5   0.734595D+01 -0.214912D+01  0.651805D-01  0.268550D+01  0.568095D+00
      6  -0.464789D+01  0.289275D+01 -0.110027D+01  0.430932D+01  0.105787D+02
               201           202           203           204           205 
      1  -0.837211D+01 -0.124620D+02 -0.274981D+02 -0.110361D+02 -0.388934D+01
      2   0.614917D+01  0.109132D+02  0.367284D+02  0.111858D+02  0.283980D+01
      3   0.222294D+01  0.154877D+01 -0.923024D+01 -0.149653D+00  0.104954D+01
      4  -0.237938D+00  0.718005D+01 -0.650865D+01 -0.234519D+01 -0.422748D+00
      5  -0.111243D+01  0.274032D+01 -0.182023D+01 -0.903140D+00  0.166848D+01
      6   0.845834D+01  0.468088D+01  0.181350D+02  0.116485D+02  0.434620D+01
               206           207 
      1  -0.897791D+01 -0.896322D+01
      2   0.757247D+01  0.410910D+01
      3   0.140544D+01  0.485411D+01
      4  -0.620562D+00  0.122624D+01
      5  -0.257760D-01 -0.175898D+01
      6   0.104513D+02  0.826716D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Jul 18 14:10:01 2021, MaxMem=  5637144576 cpu:           29965.9 elap:            3754.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.15323 -10.23586 -10.22954 -10.19475 -10.19402
 Alpha  occ. eigenvalues --  -10.19381 -10.18945 -10.18894 -10.18849 -10.18775
 Alpha  occ. eigenvalues --  -10.17442  -1.04772  -0.86980  -0.80931  -0.77523
 Alpha  occ. eigenvalues --   -0.74356  -0.70200  -0.65748  -0.62920  -0.60612
 Alpha  occ. eigenvalues --   -0.55212  -0.52126  -0.49468  -0.48629  -0.46871
 Alpha  occ. eigenvalues --   -0.45872  -0.43890  -0.42708  -0.41918  -0.40066
 Alpha  occ. eigenvalues --   -0.38666  -0.38431  -0.36693  -0.35956  -0.34955
 Alpha  occ. eigenvalues --   -0.33127  -0.31515  -0.26436  -0.25258  -0.24752
 Alpha virt. eigenvalues --   -0.02108  -0.01380  -0.00996   0.00003   0.00324
 Alpha virt. eigenvalues --    0.01171   0.01941   0.02303   0.02984   0.03320
 Alpha virt. eigenvalues --    0.04310   0.04415   0.04651   0.05944   0.06514
 Alpha virt. eigenvalues --    0.07218   0.07642   0.07961   0.08383   0.08483
 Alpha virt. eigenvalues --    0.09175   0.09515   0.09716   0.09962   0.10394
 Alpha virt. eigenvalues --    0.10709   0.10915   0.11254   0.11487   0.11877
 Alpha virt. eigenvalues --    0.12428   0.12855   0.13009   0.13669   0.14077
 Alpha virt. eigenvalues --    0.14506   0.14925   0.15217   0.15574   0.15641
 Alpha virt. eigenvalues --    0.16177   0.16364   0.17392   0.17776   0.18206
 Alpha virt. eigenvalues --    0.19091   0.20111   0.20525   0.20776   0.21088
 Alpha virt. eigenvalues --    0.21741   0.21981   0.22522   0.22755   0.23100
 Alpha virt. eigenvalues --    0.24144   0.24270   0.25008   0.25285   0.26307
 Alpha virt. eigenvalues --    0.26441   0.26603   0.26831   0.27833   0.28011
 Alpha virt. eigenvalues --    0.28492   0.29135   0.29242   0.29474   0.30286
 Alpha virt. eigenvalues --    0.30797   0.31338   0.31461   0.32048   0.32487
 Alpha virt. eigenvalues --    0.33241   0.33828   0.34354   0.34708   0.35806
 Alpha virt. eigenvalues --    0.36292   0.36870   0.37244   0.37630   0.38642
 Alpha virt. eigenvalues --    0.39392   0.39658   0.40487   0.41141   0.41365
 Alpha virt. eigenvalues --    0.42049   0.42808   0.43219   0.44140   0.44435
 Alpha virt. eigenvalues --    0.45123   0.45820   0.46650   0.47148   0.48047
 Alpha virt. eigenvalues --    0.48744   0.49162   0.49683   0.50476   0.50921
 Alpha virt. eigenvalues --    0.51110   0.52010   0.52768   0.53780   0.54041
 Alpha virt. eigenvalues --    0.54599   0.54811   0.55331   0.56050   0.56473
 Alpha virt. eigenvalues --    0.57368   0.57588   0.58047   0.58427   0.58619
 Alpha virt. eigenvalues --    0.59342   0.60037   0.60449   0.61599   0.61700
 Alpha virt. eigenvalues --    0.62980   0.63150   0.63559   0.64326   0.64903
 Alpha virt. eigenvalues --    0.65061   0.65916   0.66101   0.67024   0.67487
 Alpha virt. eigenvalues --    0.68228   0.68842   0.69374   0.70339   0.71176
 Alpha virt. eigenvalues --    0.71836   0.72581   0.72980   0.73576   0.75085
 Alpha virt. eigenvalues --    0.75430   0.76580   0.76923   0.77536   0.78441
 Alpha virt. eigenvalues --    0.78625   0.79047   0.79462   0.80090   0.80503
 Alpha virt. eigenvalues --    0.81173   0.82448   0.83288   0.84254   0.85473
 Alpha virt. eigenvalues --    0.86007   0.86816   0.88098   0.89127   0.90689
 Alpha virt. eigenvalues --    0.92235   0.92722   0.93564   0.94401   0.95737
 Alpha virt. eigenvalues --    0.96031   0.97748   0.98880   0.99317   1.02592
 Alpha virt. eigenvalues --    1.02673   1.03932   1.06040   1.07124   1.08223
 Alpha virt. eigenvalues --    1.10669   1.12604   1.13169   1.15192   1.16242
 Alpha virt. eigenvalues --    1.18617   1.19119   1.21586   1.24166   1.25526
 Alpha virt. eigenvalues --    1.29718   1.31067   1.31693   1.32618   1.33990
 Alpha virt. eigenvalues --    1.34793   1.36577   1.37692   1.39367   1.39858
 Alpha virt. eigenvalues --    1.40688   1.41340   1.41728   1.43181   1.44147
 Alpha virt. eigenvalues --    1.45157   1.46746   1.48443   1.50411   1.50618
 Alpha virt. eigenvalues --    1.51201   1.52844   1.53776   1.54757   1.55190
 Alpha virt. eigenvalues --    1.56141   1.57892   1.59282   1.60223   1.60740
 Alpha virt. eigenvalues --    1.62972   1.63667   1.64656   1.66689   1.68555
 Alpha virt. eigenvalues --    1.68991   1.69578   1.70273   1.70363   1.71705
 Alpha virt. eigenvalues --    1.73520   1.74215   1.75307   1.75806   1.77726
 Alpha virt. eigenvalues --    1.78224   1.79716   1.80454   1.82096   1.82701
 Alpha virt. eigenvalues --    1.83565   1.84117   1.86091   1.87553   1.88547
 Alpha virt. eigenvalues --    1.89686   1.91436   1.91647   1.93010   1.95187
 Alpha virt. eigenvalues --    1.96779   1.98092   1.99236   1.99580   2.00242
 Alpha virt. eigenvalues --    2.01811   2.03809   2.05433   2.06119   2.06670
 Alpha virt. eigenvalues --    2.08221   2.09484   2.09970   2.10920   2.12908
 Alpha virt. eigenvalues --    2.14212   2.14534   2.17413   2.18885   2.19423
 Alpha virt. eigenvalues --    2.21769   2.23699   2.25612   2.26884   2.28639
 Alpha virt. eigenvalues --    2.30236   2.32509   2.33746   2.34672   2.36571
 Alpha virt. eigenvalues --    2.38133   2.39014   2.43669   2.45668   2.47421
 Alpha virt. eigenvalues --    2.49763   2.50948   2.52199   2.54034   2.54713
 Alpha virt. eigenvalues --    2.56627   2.58687   2.59647   2.62626   2.64022
 Alpha virt. eigenvalues --    2.66364   2.68974   2.75577   2.77801   2.80070
 Alpha virt. eigenvalues --    2.83179   2.84055   2.87126   2.89272   2.93693
 Alpha virt. eigenvalues --    3.02570   3.08280   3.10539   3.12450   3.14375
 Alpha virt. eigenvalues --    3.21867   3.47186   3.50171   3.52218   3.56924
 Alpha virt. eigenvalues --    3.64275   3.72334   3.75501   3.84595   3.91979
 Alpha virt. eigenvalues --    4.60660
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   18.228584  -7.766364  -9.642547   4.719262  -6.291034   7.467200
     2  C   -7.766364  16.495156   7.578576  -6.586963   4.551611  -8.189102
     3  C   -9.642547   7.578576  35.568983 -16.006164   4.173014 -10.677250
     4  C    4.719262  -6.586963 -16.006164  35.568164 -16.542515   4.168979
     5  C   -6.291034   4.551611   4.173014 -16.542515  33.396655 -13.517938
     6  C    7.467200  -8.189102 -10.677250   4.168979 -13.517938  30.847552
     7  C   -0.519279   0.299261  -3.580936  -1.439894  -1.879240   0.365627
     8  C   -0.230834   0.094233  -0.138090  -0.104711   0.412596  -0.246573
     9  O    0.004678  -0.016377   0.000675  -0.243675   0.318286  -0.177370
    10  C    0.242636  -0.236499   0.488766  -0.601231   0.187143  -2.833807
    11  H   -2.483056   1.091420   1.285798  -0.252088   0.040638  -0.405366
    12  H    1.114726  -2.156124  -0.280709  -0.054831  -0.243966   0.961073
    13  H    1.310196  -0.526244  -3.767539   2.088326  -0.999670   0.478518
    14  H   -0.488500   1.010435   0.335451  -0.471741   1.711740  -3.120995
    15  H   -0.037282   0.044443   0.414147   0.314877   0.182882  -0.094780
    16  C    0.103537  -0.049798  -0.220569  -0.231365   0.011870   0.067091
    17  H   -0.018388   0.003217   0.061507  -0.282069  -0.237490   0.063273
    18  H   -0.001403   0.001886  -0.020933   0.623854  -0.105538  -0.032339
    19  H    0.024275  -0.055407   0.023496   0.069762   0.237042  -0.136861
    20  H    0.007375   0.041451  -0.071384   0.071696  -0.021556   0.389701
    21  H   -0.040033   0.026000   0.225757  -0.318805   0.173918  -0.013273
    22  H    0.017540  -0.013164  -0.124607   0.652338  -0.186628   0.014226
    23  H   -0.000913   0.032792   0.110416  -0.487101   0.109804  -0.055186
               7          8          9         10         11         12
     1  C   -0.519279  -0.230834   0.004678   0.242636  -2.483056   1.114726
     2  C    0.299261   0.094233  -0.016377  -0.236499   1.091420  -2.156124
     3  C   -3.580936  -0.138090   0.000675   0.488766   1.285798  -0.280709
     4  C   -1.439894  -0.104711  -0.243675  -0.601231  -0.252088  -0.054831
     5  C   -1.879240   0.412596   0.318286   0.187143   0.040638  -0.243966
     6  C    0.365627  -0.246573  -0.177370  -2.833807  -0.405366   0.961073
     7  C   16.077774  -1.330559   0.081963  -1.016193   0.073586  -0.039673
     8  C   -1.330559   6.497188   0.274878  -0.219485   0.007209   0.005167
     9  O    0.081963   0.274878   9.003906  -0.386507  -0.000487   0.000561
    10  C   -1.016193  -0.219485  -0.386507   9.692770  -0.024127   0.056885
    11  H    0.073586   0.007209  -0.000487  -0.024127   2.872433  -0.156288
    12  H   -0.039673   0.005167   0.000561   0.056885  -0.156288   2.838924
    13  H    0.169752   0.008766   0.002207  -0.044434  -0.203698  -0.036643
    14  H    0.017350   0.015840   0.005983   0.014024  -0.034928  -0.201764
    15  H   -1.931939   0.172795   0.016686  -0.043463  -0.003001   0.000790
    16  C    0.472412  -0.101200   0.077609  -0.243036  -0.002904   0.000071
    17  H    0.730128  -0.286171   0.013818  -0.006149   0.000099  -0.000165
    18  H   -0.361910  -0.306888  -0.234873   0.113449   0.000933   0.000080
    19  H   -0.041914   0.035524   0.000589   0.160696  -0.000270   0.002066
    20  H    0.119503  -0.088772  -0.155138  -0.536664   0.000210   0.000424
    21  H   -0.176455  -0.085598   0.011540  -0.130981  -0.001284   0.000486
    22  H   -0.374982   0.182429   0.006428   0.092232   0.000900  -0.000242
    23  H    0.507061  -0.147561   0.000689   0.010475  -0.000411   0.000507
              13         14         15         16         17         18
     1  C    1.310196  -0.488500  -0.037282   0.103537  -0.018388  -0.001403
     2  C   -0.526244   1.010435   0.044443  -0.049798   0.003217   0.001886
     3  C   -3.767539   0.335451   0.414147  -0.220569   0.061507  -0.020933
     4  C    2.088326  -0.471741   0.314877  -0.231365  -0.282069   0.623854
     5  C   -0.999670   1.711740   0.182882   0.011870  -0.237490  -0.105538
     6  C    0.478518  -3.120995  -0.094780   0.067091   0.063273  -0.032339
     7  C    0.169752   0.017350  -1.931939   0.472412   0.730128  -0.361910
     8  C    0.008766   0.015840   0.172795  -0.101200  -0.286171  -0.306888
     9  O    0.002207   0.005983   0.016686   0.077609   0.013818  -0.234873
    10  C   -0.044434   0.014024  -0.043463  -0.243036  -0.006149   0.113449
    11  H   -0.203698  -0.034928  -0.003001  -0.002904   0.000099   0.000933
    12  H   -0.036643  -0.201764   0.000790   0.000071  -0.000165   0.000080
    13  H    3.639980   0.025102  -0.067932   0.113634   0.006368  -0.002344
    14  H    0.025102   3.248434  -0.003085   0.005548   0.003463  -0.000787
    15  H   -0.067932  -0.003085   2.622817   0.076612  -0.148945  -0.016977
    16  C    0.113634   0.005548   0.076612   4.541529   0.020693  -0.093932
    17  H    0.006368   0.003463  -0.148945   0.020693   2.210752  -0.718024
    18  H   -0.002344  -0.000787  -0.016977  -0.093932  -0.718024   2.765099
    19  H   -0.003865  -0.003834   0.010397  -0.018166  -0.051074   0.018043
    20  H   -0.005523  -0.045820  -0.002759   0.023632   0.015472   0.002052
    21  H    0.007881   0.001016   0.130624   0.327108   0.006230  -0.061533
    22  H    0.008261   0.000543  -0.058037  -0.211045   0.044995  -0.047650
    23  H   -0.067233  -0.002015  -0.017239   0.092535  -0.025270   0.029548
              19         20         21         22         23
     1  C    0.024275   0.007375  -0.040033   0.017540  -0.000913
     2  C   -0.055407   0.041451   0.026000  -0.013164   0.032792
     3  C    0.023496  -0.071384   0.225757  -0.124607   0.110416
     4  C    0.069762   0.071696  -0.318805   0.652338  -0.487101
     5  C    0.237042  -0.021556   0.173918  -0.186628   0.109804
     6  C   -0.136861   0.389701  -0.013273   0.014226  -0.055186
     7  C   -0.041914   0.119503  -0.176455  -0.374982   0.507061
     8  C    0.035524  -0.088772  -0.085598   0.182429  -0.147561
     9  O    0.000589  -0.155138   0.011540   0.006428   0.000689
    10  C    0.160696  -0.536664  -0.130981   0.092232   0.010475
    11  H   -0.000270   0.000210  -0.001284   0.000900  -0.000411
    12  H    0.002066   0.000424   0.000486  -0.000242   0.000507
    13  H   -0.003865  -0.005523   0.007881   0.008261  -0.067233
    14  H   -0.003834  -0.045820   0.001016   0.000543  -0.002015
    15  H    0.010397  -0.002759   0.130624  -0.058037  -0.017239
    16  C   -0.018166   0.023632   0.327108  -0.211045   0.092535
    17  H   -0.051074   0.015472   0.006230   0.044995  -0.025270
    18  H    0.018043   0.002052  -0.061533  -0.047650   0.029548
    19  H    1.322293  -0.459521   0.000655   0.000397   0.001047
    20  H   -0.459521   2.064817  -0.012212   0.004017   0.004222
    21  H    0.000655  -0.012212   1.931722  -0.380885  -0.445011
    22  H    0.000397   0.004017  -0.380885   2.192400  -0.455694
    23  H    0.001047   0.004222  -0.445011  -0.455694   2.158720
 Mulliken charges:
               1
     1  C    0.279622
     2  C    0.325563
     3  C    0.264142
     4  C    1.345895
     5  C    0.518378
     6  C    0.677602
     7  C   -0.221445
     8  C    1.579814
     9  O   -0.606073
    10  C    1.263500
    11  H   -0.805320
    12  H   -0.811358
    13  H   -1.133867
    14  H   -1.021460
    15  H   -0.561632
    16  C    1.238135
    17  H   -0.406269
    18  H   -0.549811
    19  H   -0.135371
    20  H   -0.345223
    21  H   -0.176869
    22  H   -0.363771
    23  H   -0.354183
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.525698
     2  C   -0.485795
     3  C   -0.869725
     4  C    1.345895
     5  C    0.518378
     6  C   -0.343858
     7  C   -0.783077
     8  C    0.623734
     9  O   -0.606073
    10  C    0.782906
    16  C    0.343312
 Electronic spatial extent (au):  <R**2>=           1641.2184
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.5467    Y=              0.4923    Z=             -0.7916  Tot=              1.0807
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -66.1077   YY=            -62.8691   ZZ=            -68.8690
   XY=             -3.1586   XZ=              2.7777   YZ=             -0.9180
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1591   YY=              3.0795   ZZ=             -2.9204
   XY=             -3.1586   XZ=              2.7777   YZ=             -0.9180
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              5.0788  YYY=             -7.2787  ZZZ=              0.6372  XYY=              4.8611
  XXY=              8.2210  XXZ=             -3.6881  XZZ=            -10.0447  YZZ=             -3.6082
  YYZ=             -0.0954  XYZ=             -2.9938
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1305.3072 YYYY=           -696.6711 ZZZZ=           -189.0858 XXXY=            -13.8840
 XXXZ=             18.0154 YYYX=              8.5831 YYYZ=            -12.9864 ZZZX=              0.5993
 ZZZY=             -2.7615 XXYY=           -350.1767 XXZZ=           -277.1633 YYZZ=           -152.2340
 XXYZ=             -3.1912 YYXZ=              3.3400 ZZXY=              3.8905
 N-N= 6.087143784258D+02 E-N=-2.294499839307D+03  KE= 4.608893468680D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Jul 18 14:10:03 2021, MaxMem=  5637144576 cpu:               7.2 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.26347213D-01 1.89666481D-01-3.08094183D-01
 Polarizability= 1.39945018D+02-2.82458637D+00 1.23418169D+02
                 2.87767968D+00-3.88014091D+00 8.04670895D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.3776   -1.3769       -1.3480   -1.3439
 2      1.3776    1.3769        1.9030    1.9035       -9.6945   -9.6935
 3      1.3480    1.3439       32.2518   32.2512       -1.9020   -1.9035
 4     -1.9030   -1.9035       -0.0000    0.0000        1.3406    1.3439
 5    -22.5574  -22.5577       -1.3406   -1.3439       -1.3788   -1.3769
 6      1.9020    1.9035        1.3788    1.3769        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.1308    4.1308       -4.0317   -4.0317
 2     -5.7106   -5.7106       -0.0000    0.0000       -4.0317   -4.0317
 3     -5.7106   -5.7106        4.1308    4.1308        0.0000    0.0000
 4      4.1308    4.1308        5.7106    5.7106      -29.0805  -29.0805
 5      4.0317    4.0317       96.7536   96.7536       -5.7106   -5.7106
 6    -67.6731  -67.6731       -4.0317   -4.0317       -4.1308   -4.1308
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0552    0.0000        5.6124    5.5077        5.2206    5.3757
 2     -5.4372   -5.5077       -7.4784   -7.6141       38.9212   38.7740
 3     -5.2110   -5.3757     -128.7781 -129.0048        7.6486    7.6141
 4      7.5976    7.6141        0.0290    0.0000       -5.4616   -5.3757
 5     90.3804   90.2308        5.4939    5.3757        5.3799    5.5077
 6     -7.7241   -7.6141       -5.6606   -5.5077       -0.1969    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2684    0.0000       -6.8674   -6.9186       -1.8067   -1.8372
 2      6.9504    6.9186      -56.0180  -56.0179       29.2434   29.3204
 3      2.0363    1.8372       14.6509   14.2525       56.2138   56.0179
 4     56.2008   56.0179       -0.0152    0.0000        1.5527    1.8372
 5    -44.0506  -43.5729       -2.2989   -1.8372       -7.3100   -6.9186
 6    -56.2489  -56.0179        6.9473    6.9186        0.1867    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.8151   -5.0886      -38.3875  -38.4914       -5.9486   -5.7292
 2     85.9096   85.4112      -37.4142  -37.6294       -6.0210   -5.7292
 3     85.9062   85.4112      -38.3177  -38.4914       -7.4903   -7.0510
 4     -0.6863   -0.8619      -90.3650  -90.4998       26.7207   26.6990
 5     -1.2231   -1.3219       35.4496   35.5687       90.4853   90.4998
 6    -62.3666  -62.2677        0.7390    1.3219        0.6497    0.8619
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5276   -2.6609   -0.0007   -0.0004    0.0002    5.4422
 Low frequencies ---   92.0069  119.2389  201.5494
 Diagonal vibrational polarizability:
        4.1634484       3.8790134       8.3476660
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     92.0053               119.2385               201.5491
 Red. masses --      3.0238                 3.0444                 2.8692
 Frc consts  --      0.0151                 0.0255                 0.0687
 IR Inten    --      0.5753                 0.2323                 1.2462
 RamAct Fr= 1--      3.2677                 3.2046                 2.0803
  Dep-P Fr= 1--      0.7479                 0.7430                 0.6333
  Dep-U Fr= 1--      0.8558                 0.8526                 0.7755
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0044
 Beta2  Fr= 1--      0.4661                 0.4553                 0.2689
 AlphaG Fr= 1--     -0.0002                -0.0008                 0.0106
 Gamma2 Fr= 1--      0.2530                 1.1260                 0.5609
 Delta2 Fr= 1--      0.5201                 0.5619                -0.0199
 Raman1 Fr= 1--      13.071                 12.818                  8.321
 ROA1   Fr= 1--      40.926                126.074                 53.210
 CID1   Fr= 1--       3.131                  9.835                  6.395
 Raman2 Fr= 1--       5.593                  5.464                  3.227
 ROA2   Fr= 1--       1.911                 22.528                 13.620
 CID2   Fr= 1--       0.342                  4.123                  4.221
 Raman3 Fr= 1--      11.186                 10.928                  6.453
 ROA3   Fr= 1--      40.926                126.074                 53.210
 CID3   Fr= 1--       3.659                 11.536                  8.246
 RC180  Fr= 1--       0.712                  0.705                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.13    -0.02   0.02  -0.02    -0.02   0.04   0.16
     2   6    -0.00   0.01   0.03    -0.03   0.05   0.18    -0.02   0.02   0.03
     3   6    -0.03   0.00   0.10    -0.01  -0.02  -0.17    -0.01   0.02   0.01
     4   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.13     0.00  -0.01  -0.14
     5   6     0.01  -0.04  -0.10    -0.01   0.00  -0.03    -0.01  -0.01  -0.13
     6   6     0.02  -0.02  -0.09    -0.02   0.04   0.15    -0.01  -0.01  -0.14
     7   6    -0.01  -0.03  -0.04    -0.01  -0.01  -0.01     0.00  -0.02  -0.09
     8   6    -0.08  -0.04   0.14    -0.08   0.03   0.06     0.01  -0.02  -0.05
     9   8     0.06  -0.03   0.12    -0.00  -0.02  -0.01    -0.02   0.09   0.08
    10   6     0.02  -0.05  -0.13    -0.01  -0.01  -0.14    -0.04   0.03   0.14
    11   1    -0.04   0.05   0.24    -0.02   0.02  -0.04    -0.03   0.07   0.35
    12   1     0.00   0.02   0.04    -0.04   0.09   0.35    -0.03   0.03   0.10
    13   1    -0.04   0.01   0.18    -0.01  -0.04  -0.27    -0.01   0.03   0.08
    14   1     0.03  -0.03  -0.15    -0.02   0.07   0.28    -0.01  -0.02  -0.19
    15   1    -0.02  -0.15  -0.14    -0.10   0.03   0.03    -0.06   0.03  -0.05
    16   6     0.05   0.18  -0.14     0.17  -0.06   0.10     0.11  -0.13   0.02
    17   1    -0.24  -0.06   0.11    -0.21   0.06   0.02     0.05  -0.12  -0.00
    18   1    -0.06  -0.02   0.29    -0.06   0.05   0.19     0.01  -0.01  -0.12
    19   1    -0.11   0.10  -0.24    -0.03   0.13  -0.24    -0.11  -0.21   0.31
    20   1     0.11  -0.19  -0.25     0.02  -0.14  -0.24     0.00   0.26   0.31
    21   1     0.04   0.31  -0.04     0.31  -0.10   0.07     0.37  -0.17  -0.01
    22   1     0.06   0.20  -0.18     0.15  -0.06   0.28     0.02  -0.27   0.22
    23   1     0.09   0.19  -0.28     0.21  -0.07   0.03     0.04  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    232.2499               253.9007               322.9162
 Red. masses --      1.1063                 2.8506                 3.1614
 Frc consts  --      0.0352                 0.1083                 0.1942
 IR Inten    --      0.4417                 2.7111                 5.0029
 RamAct Fr= 1--      0.1396                 0.5404                 0.8799
  Dep-P Fr= 1--      0.7429                 0.7462                 0.1605
  Dep-U Fr= 1--      0.8525                 0.8547                 0.2767
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0132
 Beta2  Fr= 1--      0.0198                 0.0770                 0.0406
 AlphaG Fr= 1--     -0.0006                 0.0001                -0.0027
 Gamma2 Fr= 1--     -0.1728                 0.5609                -0.4009
 Delta2 Fr= 1--      0.0680                 0.1701                -0.1585
 Raman1 Fr= 1--       0.558                  2.162                  3.520
 ROA1   Fr= 1--     -14.410                 59.288                -43.557
 CID1   Fr= 1--     -25.807                 27.426                -12.375
 Raman2 Fr= 1--       0.238                  0.924                  0.487
 ROA2   Fr= 1--      -4.691                 12.100                 -8.353
 CID2   Fr= 1--     -19.710                 13.098                -17.156
 Raman3 Fr= 1--       0.476                  1.848                  0.974
 ROA3   Fr= 1--     -14.410                 59.288                -43.557
 CID3   Fr= 1--     -30.273                 32.089                -44.729
 RC180  Fr= 1--       0.705                  0.709                 -0.447
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.06   0.06   0.01    -0.06   0.06  -0.06
     2   6    -0.00  -0.01  -0.02    -0.02   0.06  -0.04    -0.01   0.05  -0.13
     3   6     0.00   0.00   0.02    -0.07   0.00   0.04    -0.09   0.01   0.15
     4   6    -0.00   0.01   0.03    -0.02  -0.05   0.03    -0.01  -0.07   0.07
     5   6    -0.01   0.01   0.03    -0.01  -0.04   0.05    -0.00  -0.06   0.12
     6   6    -0.01   0.00   0.01     0.02   0.01  -0.01     0.03   0.01   0.11
     7   6    -0.01   0.00   0.02     0.01  -0.02   0.03     0.05  -0.05  -0.09
     8   6     0.01  -0.00  -0.01    -0.02   0.01  -0.03     0.03  -0.00  -0.08
     9   8    -0.01  -0.03  -0.04    -0.07  -0.12  -0.17    -0.01   0.14   0.08
    10   6     0.00  -0.01  -0.00    -0.00  -0.06   0.10    -0.08  -0.00  -0.07
    11   1     0.01  -0.02  -0.03    -0.08   0.09   0.01    -0.09   0.08  -0.16
    12   1    -0.00  -0.02  -0.04    -0.00   0.08  -0.10     0.02   0.08  -0.30
    13   1     0.01   0.01   0.02    -0.14  -0.01   0.06    -0.18   0.01   0.22
    14   1    -0.02  -0.00   0.01     0.08   0.02  -0.04     0.11   0.04   0.15
    15   1    -0.02  -0.01   0.01     0.05  -0.05   0.00     0.14  -0.03  -0.07
    16   6     0.02   0.04   0.00     0.21   0.13   0.01     0.13  -0.10  -0.05
    17   1     0.04   0.03  -0.01    -0.03   0.14  -0.08     0.10  -0.15  -0.01
    18   1     0.01  -0.01  -0.03    -0.01   0.01   0.01     0.03   0.03  -0.20
    19   1     0.04  -0.00  -0.01     0.15  -0.25   0.25    -0.19   0.25  -0.25
    20   1    -0.01  -0.01  -0.00    -0.08   0.13   0.26    -0.14  -0.25  -0.25
    21   1     0.55   0.21   0.16     0.05   0.17   0.04     0.23  -0.15  -0.08
    22   1    -0.21  -0.42   0.19     0.32   0.41   0.04     0.11  -0.10   0.08
    23   1    -0.27   0.39  -0.36     0.45  -0.06  -0.04     0.16  -0.12  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    357.2463               385.6409               440.8882
 Red. masses --      3.5440                 2.3758                 3.3059
 Frc consts  --      0.2665                 0.2082                 0.3786
 IR Inten    --      0.2966                 0.4124                 3.9621
 RamAct Fr= 1--      0.3256                 2.7659                 1.3008
  Dep-P Fr= 1--      0.7137                 0.3512                 0.6720
  Dep-U Fr= 1--      0.8329                 0.5198                 0.8038
 Alpha2 Fr= 1--      0.0002                 0.0242                 0.0018
 Beta2  Fr= 1--      0.0452                 0.2396                 0.1743
 AlphaG Fr= 1--     -0.0004                -0.0110                 0.0063
 Gamma2 Fr= 1--     -0.7672                 0.0238                 0.4461
 Delta2 Fr= 1--     -0.2301                 0.1610                 0.0838
 Raman1 Fr= 1--       1.302                 11.064                  5.203
 ROA1   Fr= 1--     -81.016                  7.437                 45.512
 CID1   Fr= 1--     -62.209                  0.672                  8.747
 Raman2 Fr= 1--       0.542                  2.875                  2.091
 ROA2   Fr= 1--     -16.572                 -0.717                 10.037
 CID2   Fr= 1--     -30.555                 -0.249                  4.800
 Raman3 Fr= 1--       1.085                  5.751                  4.182
 ROA3   Fr= 1--     -81.016                  7.437                 45.512
 CID3   Fr= 1--     -74.687                  1.293                 10.882
 RC180  Fr= 1--       0.666                  0.040                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05   0.02    -0.04  -0.04  -0.02    -0.08  -0.08  -0.09
     2   6     0.00  -0.09  -0.11    -0.10  -0.04   0.01    -0.01  -0.05  -0.02
     3   6     0.10   0.10   0.13    -0.02   0.04  -0.00    -0.09  -0.02   0.15
     4   6     0.03   0.14  -0.06    -0.04   0.07  -0.01    -0.07  -0.04  -0.09
     5   6    -0.03   0.16   0.05    -0.07   0.06  -0.04     0.03  -0.04  -0.17
     6   6    -0.09   0.06   0.09    -0.12   0.00   0.00    -0.01  -0.02   0.15
     7   6    -0.04  -0.03  -0.11    -0.04   0.03   0.03    -0.06   0.07  -0.03
     8   6    -0.11  -0.08   0.05     0.17  -0.12  -0.05    -0.02   0.07  -0.01
     9   8    -0.05  -0.12  -0.02     0.07  -0.03   0.07     0.18   0.08  -0.05
    10   6     0.04   0.09   0.01     0.04  -0.02  -0.04     0.12  -0.03   0.03
    11   1     0.15  -0.12   0.02    -0.00  -0.09  -0.02    -0.09  -0.07  -0.15
    12   1    -0.02  -0.20  -0.26    -0.11  -0.07   0.04     0.00   0.00   0.01
    13   1     0.22   0.15   0.26     0.03   0.06   0.01    -0.08   0.03   0.41
    14   1    -0.21   0.05   0.15    -0.19  -0.00   0.02    -0.06   0.03   0.43
    15   1    -0.18  -0.08  -0.14    -0.11   0.01   0.02    -0.04   0.11   0.00
    16   6     0.07  -0.09  -0.06     0.06   0.07   0.05    -0.03   0.02   0.02
    17   1    -0.33  -0.08   0.01     0.56  -0.18   0.05    -0.16   0.14  -0.06
    18   1    -0.08  -0.01   0.24     0.11  -0.27  -0.43    -0.04  -0.03   0.19
    19   1     0.16   0.11  -0.00     0.00   0.06  -0.09     0.08  -0.32   0.23
    20   1     0.12   0.08  -0.01     0.15  -0.08  -0.10     0.12   0.24   0.23
    21   1     0.06  -0.19  -0.13     0.01   0.09   0.06     0.02  -0.02  -0.01
    22   1     0.09   0.01   0.05     0.12   0.23   0.11    -0.05  -0.00   0.07
    23   1     0.16  -0.19   0.01     0.21  -0.03   0.01    -0.05   0.03   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    471.3334               524.9805               554.0479
 Red. masses --      4.0221                 3.5738                 3.5664
 Frc consts  --      0.5265                 0.5803                 0.6450
 IR Inten    --      3.1414                 0.2801                 3.3016
 RamAct Fr= 1--      2.1850                 8.2782                 0.2745
  Dep-P Fr= 1--      0.3375                 0.1955                 0.4512
  Dep-U Fr= 1--      0.5046                 0.3271                 0.6218
 Alpha2 Fr= 1--      0.0200                 0.1138                 0.0017
 Beta2  Fr= 1--      0.1838                 0.4512                 0.0284
 AlphaG Fr= 1--      0.0151                 0.0171                -0.0074
 Gamma2 Fr= 1--     -0.1644                -0.2981                 0.2583
 Delta2 Fr= 1--      0.1065                -0.0806                 0.0011
 Raman1 Fr= 1--       8.740                 33.113                  1.098
 ROA1   Fr= 1--     -12.374                -31.193                 24.835
 CID1   Fr= 1--      -1.416                 -0.942                 22.621
 Raman2 Fr= 1--       2.205                  5.415                  0.341
 ROA2   Fr= 1--      -4.798                 -6.508                  6.191
 CID2   Fr= 1--      -2.176                 -1.202                 18.138
 Raman3 Fr= 1--       4.410                 10.830                  0.683
 ROA3   Fr= 1--     -12.374                -31.193                 24.835
 CID3   Fr= 1--      -2.806                 -2.880                 36.378
 RC180  Fr= 1--       0.009                 -0.346                  0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07   0.14    -0.07   0.04  -0.04     0.01  -0.06  -0.19
     2   6    -0.02  -0.08  -0.03    -0.22   0.03   0.02     0.01   0.01   0.23
     3   6    -0.09  -0.06  -0.12    -0.02   0.10  -0.02    -0.01   0.02   0.10
     4   6    -0.09   0.01   0.05     0.07   0.02   0.07    -0.03   0.06   0.24
     5   6     0.03   0.07   0.25    -0.08  -0.01   0.00     0.03   0.04  -0.06
     6   6    -0.00  -0.08  -0.07    -0.14  -0.04  -0.03     0.02  -0.02  -0.14
     7   6    -0.07   0.04  -0.08     0.22   0.02  -0.02    -0.05  -0.06  -0.03
     8   6    -0.05   0.03  -0.03     0.12   0.09   0.12    -0.09  -0.05  -0.05
     9   8     0.19   0.07  -0.05     0.07  -0.05  -0.01     0.00   0.04   0.00
    10   6     0.15   0.07   0.02     0.02  -0.07   0.01     0.02   0.08  -0.01
    11   1    -0.14  -0.04   0.21     0.02  -0.07  -0.09     0.02  -0.12  -0.52
    12   1     0.01  -0.05  -0.20    -0.22   0.02   0.04     0.00   0.05   0.39
    13   1    -0.02  -0.09  -0.37    -0.10   0.07  -0.09     0.04   0.00  -0.07
    14   1    -0.06  -0.14  -0.37    -0.11  -0.04  -0.10    -0.01  -0.06  -0.32
    15   1    -0.00   0.07  -0.06     0.25  -0.03  -0.07     0.07  -0.08  -0.05
    16   6     0.03  -0.02  -0.01     0.03  -0.09  -0.10     0.06  -0.05  -0.05
    17   1    -0.20   0.07  -0.08    -0.18   0.14   0.05    -0.16  -0.09  -0.05
    18   1    -0.07  -0.07   0.17     0.19   0.26   0.40    -0.08  -0.03   0.00
    19   1     0.30   0.21  -0.08     0.07  -0.14   0.06     0.00  -0.03   0.07
    20   1     0.02  -0.07  -0.07     0.05  -0.01   0.06     0.05   0.18   0.06
    21   1     0.12  -0.10  -0.06    -0.01  -0.20  -0.18     0.15  -0.05  -0.04
    22   1     0.02   0.02   0.16    -0.02  -0.28  -0.24     0.07   0.05   0.12
    23   1     0.09  -0.07  -0.01    -0.17   0.00   0.11     0.18  -0.12  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    621.8870               706.4100               735.3029
 Red. masses --      4.5836                 3.5550                 4.2478
 Frc consts  --      1.0444                 1.0452                 1.3531
 IR Inten    --      4.3133                 9.6296                 2.2974
 RamAct Fr= 1--      2.4696                 0.7793                24.6515
  Dep-P Fr= 1--      0.3244                 0.4436                 0.0415
  Dep-U Fr= 1--      0.4899                 0.6145                 0.0796
 Alpha2 Fr= 1--      0.0235                 0.0049                 0.4969
 Beta2  Fr= 1--      0.2017                 0.0798                 0.3271
 AlphaG Fr= 1--      0.0405                -0.0100                -0.0187
 Gamma2 Fr= 1--      0.1326                -0.2823                -1.8171
 Delta2 Fr= 1--      0.1802                -0.2360                -0.7147
 Raman1 Fr= 1--       9.878                  3.117                 98.606
 ROA1   Fr= 1--      18.501                -34.649               -197.311
 CID1   Fr= 1--       1.873                -11.115                 -2.001
 Raman2 Fr= 1--       2.420                  0.958                  3.926
 ROA2   Fr= 1--       1.742                 -4.887                -37.893
 CID2   Fr= 1--       0.720                 -5.102                 -9.653
 Raman3 Fr= 1--       4.840                  1.916                  7.851
 ROA3   Fr= 1--      18.501                -34.649               -197.311
 CID3   Fr= 1--       3.823                -18.088                -25.132
 RC180  Fr= 1--      -0.020                  0.229                 -0.841
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.18  -0.04   0.00    -0.12  -0.10  -0.08     0.03   0.05  -0.05
     2   6    -0.08  -0.07  -0.03     0.12  -0.02   0.08    -0.10   0.02   0.05
     3   6    -0.08   0.17  -0.05    -0.10  -0.04   0.06     0.07   0.26   0.01
     4   6     0.10   0.00  -0.06    -0.06   0.02  -0.10     0.11   0.05  -0.08
     5   6     0.17   0.04  -0.06     0.05   0.05   0.05     0.07  -0.11   0.11
     6   6     0.08  -0.22   0.06     0.11  -0.03  -0.07     0.08  -0.24   0.01
     7   6     0.06  -0.19   0.14     0.03   0.18  -0.09    -0.09   0.12  -0.11
     8   6    -0.01  -0.03  -0.00     0.10   0.07   0.11    -0.08  -0.03  -0.06
     9   8    -0.08   0.01  -0.02    -0.14  -0.13   0.03     0.02  -0.00   0.01
    10   6     0.05   0.25  -0.01     0.02   0.03   0.03    -0.05  -0.17   0.03
    11   1    -0.10  -0.12   0.15    -0.22   0.02   0.00     0.22  -0.17  -0.09
    12   1    -0.01   0.18   0.04     0.17   0.15   0.19    -0.04   0.14  -0.08
    13   1    -0.08   0.19   0.10    -0.04   0.01   0.26     0.07   0.26   0.03
    14   1     0.02  -0.19   0.22     0.03  -0.04  -0.03     0.25  -0.24  -0.15
    15   1     0.04  -0.15   0.17    -0.04   0.05  -0.20    -0.14   0.12  -0.11
    16   6     0.00  -0.01   0.01     0.01   0.01  -0.04    -0.05   0.08   0.07
    17   1     0.05  -0.02   0.00     0.30   0.05   0.16    -0.10  -0.07  -0.04
    18   1     0.01   0.09  -0.11     0.10   0.07  -0.11    -0.11  -0.16  -0.01
    19   1     0.06   0.28  -0.03     0.05   0.22  -0.09    -0.07  -0.12  -0.01
    20   1     0.10   0.23  -0.05     0.06  -0.12  -0.10    -0.19  -0.23   0.00
    21   1    -0.15   0.25   0.21     0.08  -0.30  -0.29     0.07  -0.09  -0.06
    22   1     0.05  -0.00  -0.27    -0.06  -0.13   0.08    -0.08   0.12   0.32
    23   1    -0.02   0.06  -0.16    -0.12   0.02   0.29    -0.00   0.01   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    744.1165               771.3808               843.9545
 Red. masses --      2.0765                 1.6692                 3.2553
 Frc consts  --      0.6774                 0.5852                 1.3661
 IR Inten    --     26.6792                28.0750                 1.6239
 RamAct Fr= 1--      1.3214                 2.2392                 3.6412
  Dep-P Fr= 1--      0.3445                 0.4648                 0.4306
  Dep-U Fr= 1--      0.5125                 0.6346                 0.6020
 Alpha2 Fr= 1--      0.0118                 0.0129                 0.0241
 Beta2  Fr= 1--      0.1129                 0.2368                 0.3654
 AlphaG Fr= 1--     -0.0202                 0.0130                -0.0498
 Gamma2 Fr= 1--      0.4445                -0.6275                 0.7950
 Delta2 Fr= 1--     -0.0992                 0.3456                 0.3048
 Raman1 Fr= 1--       5.285                  8.957                 14.565
 ROA1   Fr= 1--      39.498                -49.183                 86.076
 CID1   Fr= 1--       7.473                 -5.491                  5.910
 Raman2 Fr= 1--       1.354                  2.842                  4.384
 ROA2   Fr= 1--      11.461                -17.825                 16.642
 CID2   Fr= 1--       8.463                 -6.272                  3.796
 Raman3 Fr= 1--       2.709                  5.684                  8.769
 ROA3   Fr= 1--      39.498                -49.183                 86.076
 CID3   Fr= 1--      14.582                 -8.652                  9.816
 RC180  Fr= 1--       0.025                  0.269                  0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.13    -0.00   0.00  -0.01     0.08   0.11   0.02
     2   6    -0.05   0.03   0.03     0.01  -0.02  -0.11    -0.16   0.06  -0.02
     3   6     0.02  -0.04   0.04     0.01   0.02  -0.09     0.03  -0.15   0.05
     4   6     0.02  -0.06  -0.12    -0.01   0.04   0.17     0.05  -0.13   0.02
     5   6    -0.04   0.01   0.14     0.01  -0.01  -0.04     0.02  -0.05  -0.04
     6   6    -0.04   0.02  -0.12     0.02  -0.03  -0.00    -0.04  -0.06  -0.01
     7   6     0.00  -0.05   0.03    -0.02   0.04  -0.03     0.05   0.09  -0.08
     8   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.01    -0.08  -0.05  -0.05
     9   8     0.05   0.03  -0.02    -0.01  -0.01   0.01    -0.04  -0.07   0.03
    10   6     0.01   0.02   0.04    -0.01  -0.02  -0.01     0.11   0.19   0.01
    11   1     0.03   0.10   0.39    -0.02   0.08   0.54     0.10   0.06  -0.18
    12   1    -0.11   0.02   0.49    -0.03   0.12   0.54    -0.20  -0.04  -0.04
    13   1    -0.06   0.05   0.56     0.01   0.05   0.10    -0.19  -0.23  -0.12
    14   1    -0.03   0.06   0.09    -0.01   0.06   0.49     0.08  -0.01   0.14
    15   1    -0.04   0.00   0.08     0.09  -0.01  -0.07     0.26   0.03  -0.13
    16   6    -0.01  -0.00   0.02     0.00   0.00  -0.02    -0.02   0.10   0.07
    17   1    -0.06   0.02  -0.04    -0.03  -0.03  -0.00    -0.00  -0.16   0.01
    18   1    -0.01  -0.01   0.05    -0.02  -0.02  -0.00    -0.10  -0.12  -0.12
    19   1     0.12   0.19  -0.08    -0.03  -0.05   0.01     0.15   0.25  -0.03
    20   1    -0.09  -0.15  -0.07     0.01  -0.00   0.01     0.25   0.13  -0.06
    21   1    -0.07   0.12   0.11     0.10  -0.12  -0.11     0.05  -0.17  -0.14
    22   1     0.02   0.02  -0.10    -0.02   0.02   0.15    -0.10  -0.03   0.21
    23   1    -0.01   0.03  -0.07     0.04  -0.05   0.04    -0.13   0.10   0.36
                     19                     20                     21
                      A                      A                      A
 Frequencies --    877.7424               889.5115               935.5473
 Red. masses --      1.3484                 2.7790                 2.7401
 Frc consts  --      0.6121                 1.2955                 1.4130
 IR Inten    --      0.0483                 3.4335                14.7731
 RamAct Fr= 1--      1.2314                 4.7863                 4.4476
  Dep-P Fr= 1--      0.5497                 0.1868                 0.7307
  Dep-U Fr= 1--      0.7094                 0.3147                 0.8444
 Alpha2 Fr= 1--      0.0047                 0.0673                 0.0015
 Beta2  Fr= 1--      0.1456                 0.2511                 0.6259
 AlphaG Fr= 1--     -0.0124                 0.0395                 0.0050
 Gamma2 Fr= 1--      0.7166                 1.8626                -1.4594
 Delta2 Fr= 1--      0.1937                 1.6703                -0.6117
 Raman1 Fr= 1--       4.925                 19.145                 17.790
 ROA1   Fr= 1--      74.994                232.255               -159.678
 CID1   Fr= 1--      15.226                 12.131                 -8.976
 Raman2 Fr= 1--       1.747                  3.013                  7.511
 ROA2   Fr= 1--      15.649                 31.339                -30.132
 CID2   Fr= 1--       8.957                 10.402                 -4.012
 Raman3 Fr= 1--       3.494                  6.026                 15.022
 ROA3   Fr= 1--      74.994                232.255               -159.678
 CID3   Fr= 1--      21.463                 38.544                -10.629
 RC180  Fr= 1--       0.419                 -0.371                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.06     0.10   0.08   0.00     0.02   0.01   0.02
     2   6     0.01  -0.01  -0.04    -0.07   0.03  -0.01    -0.05   0.00   0.02
     3   6    -0.01   0.03   0.09     0.04  -0.04   0.00     0.02   0.01  -0.03
     4   6    -0.00   0.00  -0.05    -0.02  -0.03   0.01    -0.02   0.00   0.01
     5   6    -0.01   0.00   0.03     0.01  -0.05   0.00     0.02   0.00  -0.00
     6   6     0.01  -0.01  -0.10     0.01  -0.09   0.02    -0.01  -0.01  -0.03
     7   6    -0.01  -0.01   0.00    -0.18  -0.00   0.06    -0.04   0.06   0.08
     8   6     0.02   0.01   0.00     0.07   0.08   0.19    -0.13   0.17  -0.11
     9   8     0.01   0.00  -0.01     0.02   0.03  -0.08    -0.06  -0.06   0.11
    10   6    -0.01  -0.01   0.03    -0.01   0.08  -0.01     0.15  -0.10   0.03
    11   1     0.03  -0.08  -0.41     0.15   0.02  -0.04     0.08  -0.06  -0.09
    12   1    -0.01   0.05   0.29    -0.09  -0.02  -0.03    -0.05  -0.06  -0.16
    13   1     0.05  -0.08  -0.53    -0.04  -0.05   0.02     0.01   0.05   0.18
    14   1    -0.05   0.11   0.60     0.12  -0.07   0.04    -0.01   0.03   0.16
    15   1    -0.07   0.03   0.03    -0.38  -0.21  -0.11     0.10   0.32   0.28
    16   6    -0.00  -0.01   0.01    -0.00  -0.08  -0.13     0.05  -0.09  -0.09
    17   1    -0.02   0.02  -0.01     0.47   0.28   0.19     0.19   0.17  -0.03
    18   1     0.02   0.02   0.04    -0.01  -0.13  -0.14    -0.18   0.02  -0.35
    19   1     0.02   0.08  -0.04     0.02   0.04   0.01     0.15   0.00  -0.04
    20   1    -0.06  -0.11  -0.04    -0.09   0.11   0.02     0.28  -0.18  -0.05
    21   1    -0.03   0.05   0.05     0.13  -0.12  -0.16    -0.05   0.09   0.05
    22   1     0.01   0.01  -0.05     0.01   0.04   0.11     0.10  -0.06  -0.30
    23   1     0.01  -0.00  -0.05     0.17  -0.19  -0.21     0.04  -0.03  -0.26
                     22                     23                     24
                      A                      A                      A
 Frequencies --    941.7504               964.2064               977.4966
 Red. masses --      1.3896                 1.2465                 1.6451
 Frc consts  --      0.7261                 0.6828                 0.9261
 IR Inten    --      2.5474                 0.0874                11.6532
 RamAct Fr= 1--      0.7221                 0.1279                 1.5338
  Dep-P Fr= 1--      0.7205                 0.4624                 0.7158
  Dep-U Fr= 1--      0.8375                 0.6324                 0.8344
 Alpha2 Fr= 1--      0.0004                 0.0007                 0.0009
 Beta2  Fr= 1--      0.1008                 0.0135                 0.2133
 AlphaG Fr= 1--     -0.0006                -0.0064                 0.0116
 Gamma2 Fr= 1--      0.9061                -0.3746                 0.7359
 Delta2 Fr= 1--     -0.0334                 0.2609                 0.1800
 Raman1 Fr= 1--       2.888                  0.512                  6.135
 ROA1   Fr= 1--      85.922                -27.607                 76.403
 CID1   Fr= 1--      29.748                -53.953                 12.454
 Raman2 Fr= 1--       1.210                  0.162                  2.559
 ROA2   Fr= 1--      22.015                -11.077                 16.221
 CID2   Fr= 1--      18.201                -68.466                  6.338
 Raman3 Fr= 1--       2.419                  0.324                  5.119
 ROA3   Fr= 1--      85.922                -27.607                 76.403
 CID3   Fr= 1--      35.519                -85.320                 14.925
 RC180  Fr= 1--       0.675                  0.265                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05     0.01  -0.02  -0.09     0.01   0.01  -0.00
     2   6     0.01   0.01   0.08    -0.01   0.02   0.08    -0.03   0.01  -0.01
     3   6     0.00  -0.01  -0.10    -0.00   0.01   0.06     0.00  -0.03   0.00
     4   6     0.00   0.01   0.04    -0.00   0.00   0.01    -0.01   0.01   0.01
     5   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.02  -0.01  -0.04
     6   6     0.01  -0.01  -0.09     0.00  -0.01  -0.04     0.00  -0.02   0.03
     7   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03  -0.03  -0.06
     8   6     0.02  -0.03   0.00     0.01   0.01   0.00     0.13   0.07  -0.05
     9   8     0.01   0.01  -0.02    -0.00  -0.00   0.00    -0.05  -0.03   0.04
    10   6    -0.03   0.01   0.02     0.00   0.00  -0.01     0.04   0.00   0.05
    11   1     0.01  -0.05  -0.27    -0.04   0.11   0.61     0.01   0.01  -0.00
    12   1     0.05  -0.09  -0.48     0.04  -0.10  -0.53    -0.03   0.02   0.02
    13   1    -0.03   0.11   0.54     0.03  -0.08  -0.43    -0.01  -0.03   0.02
    14   1    -0.04   0.10   0.53    -0.02   0.05   0.31     0.03  -0.03  -0.10
    15   1     0.04  -0.06  -0.05    -0.00   0.00   0.00    -0.07   0.03  -0.01
    16   6    -0.01   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.02   0.03
    17   1    -0.07  -0.03  -0.02    -0.00   0.00   0.00    -0.27  -0.02  -0.10
    18   1     0.03   0.00   0.09     0.01   0.02   0.00     0.23   0.39   0.25
    19   1    -0.02   0.07  -0.03    -0.01  -0.01   0.01     0.03   0.16  -0.06
    20   1    -0.07  -0.06  -0.03     0.02   0.01   0.00     0.12  -0.15  -0.08
    21   1     0.04  -0.03  -0.03     0.00   0.01   0.01     0.11   0.14   0.17
    22   1    -0.02   0.03   0.10    -0.00   0.01   0.02    -0.01   0.31   0.33
    23   1     0.02  -0.02   0.03     0.02  -0.01  -0.02     0.25  -0.19  -0.36
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.0376              1037.8521              1063.5107
 Red. masses --      2.0015                 1.8237                 2.4345
 Frc consts  --      1.2366                 1.1574                 1.6224
 IR Inten    --     15.0341                 2.5286                 8.1768
 RamAct Fr= 1--      3.8476                 1.5106                45.9454
  Dep-P Fr= 1--      0.4175                 0.3603                 0.0452
  Dep-U Fr= 1--      0.5891                 0.5297                 0.0865
 Alpha2 Fr= 1--      0.0267                 0.0128                 0.9180
 Beta2  Fr= 1--      0.3778                 0.1334                 0.6623
 AlphaG Fr= 1--      0.0603                 0.0054                -0.0709
 Gamma2 Fr= 1--      1.5471                -0.4248                 1.2611
 Delta2 Fr= 1--      0.3979                -0.0527                 0.7446
 Raman1 Fr= 1--      15.390                  6.042                183.782
 ROA1   Fr= 1--     161.249                -42.466                144.888
 CID1   Fr= 1--      10.477                 -7.028                  0.788
 Raman2 Fr= 1--       4.533                  1.600                  7.947
 ROA2   Fr= 1--      33.947                 -9.774                 24.309
 CID2   Fr= 1--       7.488                 -6.107                  3.059
 Raman3 Fr= 1--       9.067                  3.201                 15.895
 ROA3   Fr= 1--     161.249                -42.466                144.888
 CID3   Fr= 1--      17.785                -13.267                  9.115
 RC180  Fr= 1--       0.178                  0.059                 -0.827
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.01  -0.04  -0.00     0.11   0.17  -0.02
     2   6     0.00   0.02  -0.00     0.01  -0.02   0.00     0.17  -0.12   0.03
     3   6     0.00  -0.03   0.00    -0.01   0.07   0.00    -0.10   0.09  -0.02
     4   6    -0.03   0.04   0.03     0.02  -0.03   0.00    -0.03  -0.03  -0.00
     5   6    -0.01  -0.03  -0.09     0.02  -0.04  -0.10    -0.05   0.01  -0.00
     6   6     0.01  -0.05   0.04    -0.02   0.09   0.02    -0.06  -0.11   0.02
     7   6    -0.00   0.14   0.02    -0.01  -0.07   0.05     0.00  -0.01   0.00
     8   6     0.02  -0.09  -0.01    -0.04   0.03  -0.01     0.01   0.03  -0.03
     9   8     0.05  -0.04  -0.04     0.02   0.02  -0.04     0.03  -0.03   0.02
    10   6    -0.09   0.07   0.12     0.03  -0.02   0.16    -0.02   0.02   0.00
    11   1    -0.03   0.08   0.04     0.05  -0.10   0.07    -0.03   0.35  -0.07
    12   1     0.04   0.08  -0.05    -0.03  -0.13   0.00     0.10  -0.34   0.07
    13   1     0.03  -0.03  -0.02     0.01   0.05  -0.11    -0.54   0.02  -0.04
    14   1     0.06  -0.07  -0.08    -0.03   0.06  -0.15    -0.50  -0.21  -0.00
    15   1    -0.07   0.42   0.25     0.14  -0.27  -0.13     0.11  -0.01  -0.00
    16   6     0.06  -0.07  -0.03    -0.00   0.05  -0.03     0.00   0.01  -0.00
    17   1    -0.16  -0.07  -0.06     0.09   0.17  -0.04    -0.01   0.03  -0.03
    18   1    -0.01  -0.24   0.26    -0.07  -0.07  -0.07     0.01   0.01   0.02
    19   1    -0.08   0.36  -0.10     0.05   0.44  -0.17     0.02   0.02   0.00
    20   1    -0.15  -0.26  -0.13    -0.12  -0.49  -0.18     0.08   0.02  -0.01
    21   1    -0.11   0.15   0.14     0.10  -0.19  -0.21     0.01  -0.02  -0.02
    22   1     0.11  -0.06  -0.35    -0.08  -0.05   0.19    -0.01  -0.01   0.02
    23   1    -0.03   0.05  -0.17    -0.02  -0.01   0.20    -0.01   0.00   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1088.8058              1131.5103              1144.2251
 Red. masses --      2.1825                 2.1641                 3.4227
 Frc consts  --      1.5244                 1.6325                 2.6402
 IR Inten    --     10.3766                 6.5338                61.9838
 RamAct Fr= 1--     11.0024                 3.8230                 2.5398
  Dep-P Fr= 1--      0.1520                 0.4941                 0.2582
  Dep-U Fr= 1--      0.2639                 0.6614                 0.4105
 Alpha2 Fr= 1--      0.1692                 0.0194                 0.0294
 Beta2  Fr= 1--      0.4839                 0.4214                 0.1738
 AlphaG Fr= 1--     -0.0043                 0.0456                -0.0641
 Gamma2 Fr= 1--     -1.0330                 0.7125                -0.1772
 Delta2 Fr= 1--      0.4742                -0.5262                 0.7921
 Raman1 Fr= 1--      44.010                 15.292                 10.159
 ROA1   Fr= 1--     -83.994                 51.562                  8.335
 CID1   Fr= 1--      -1.909                  3.372                  0.820
 Raman2 Fr= 1--       5.807                  5.057                  2.085
 ROA2   Fr= 1--     -28.586                 21.310                -10.590
 CID2   Fr= 1--      -4.923                  4.214                 -5.079
 Raman3 Fr= 1--      11.613                 10.115                  4.170
 ROA3   Fr= 1--     -83.994                 51.562                  8.335
 CID3   Fr= 1--      -7.233                  5.098                  1.999
 RC180  Fr= 1--      -0.472                  0.323                 -0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04   0.00    -0.00   0.04  -0.01    -0.01  -0.03   0.00
     2   6     0.03  -0.01   0.00    -0.01   0.05  -0.01     0.01   0.01   0.00
     3   6     0.01   0.04   0.01     0.05  -0.09   0.03     0.02   0.04  -0.02
     4   6     0.10  -0.07  -0.05    -0.05   0.07  -0.05    -0.03  -0.03   0.05
     5   6    -0.04  -0.02   0.03    -0.01   0.08   0.01    -0.07  -0.05   0.00
     6   6    -0.00   0.06  -0.01     0.00  -0.11   0.02     0.04   0.02  -0.00
     7   6     0.04   0.06   0.08    -0.02  -0.04   0.17    -0.07  -0.11  -0.12
     8   6    -0.04   0.03  -0.02     0.02  -0.01  -0.12     0.02   0.20  -0.10
     9   8     0.08  -0.09   0.03     0.02  -0.02   0.05     0.13  -0.16   0.08
    10   6    -0.12   0.08  -0.03    -0.05  -0.02  -0.00    -0.16   0.12   0.01
    11   1    -0.05  -0.06  -0.02    -0.18   0.23  -0.06     0.08  -0.13   0.03
    12   1     0.04   0.04   0.02     0.10   0.37  -0.05     0.03   0.06  -0.01
    13   1     0.01   0.03  -0.04     0.32  -0.05  -0.00     0.17   0.08   0.04
    14   1     0.03   0.07  -0.02    -0.12  -0.14   0.01     0.31   0.07   0.02
    15   1     0.44   0.17   0.16     0.01  -0.18   0.05    -0.29  -0.24  -0.23
    16   6    -0.10  -0.02  -0.08     0.03   0.06  -0.08     0.06   0.02   0.09
    17   1     0.08  -0.00   0.03    -0.19   0.16  -0.22     0.12   0.26  -0.09
    18   1    -0.11  -0.26   0.00     0.07   0.11   0.18    -0.01   0.02  -0.02
    19   1    -0.04  -0.06   0.06    -0.08  -0.04   0.01    -0.06   0.04   0.04
    20   1     0.02   0.19   0.04     0.09  -0.01  -0.00     0.20   0.12  -0.03
    21   1     0.25  -0.04  -0.08     0.12  -0.28  -0.34    -0.23   0.06   0.11
    22   1    -0.05   0.24   0.40    -0.08  -0.13   0.12     0.04  -0.17  -0.28
    23   1     0.25  -0.25  -0.27    -0.02  -0.02   0.25    -0.20   0.20   0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1157.1200              1186.3515              1217.2456
 Red. masses --      1.6455                 1.1203                 1.9545
 Frc consts  --      1.2981                 0.9290                 1.7063
 IR Inten    --      2.5336                 0.3320                 1.2603
 RamAct Fr= 1--      2.2378                 5.2378                12.5994
  Dep-P Fr= 1--      0.7362                 0.5926                 0.1305
  Dep-U Fr= 1--      0.8481                 0.7442                 0.2308
 Alpha2 Fr= 1--      0.0005                 0.0153                 0.2046
 Beta2  Fr= 1--      0.3163                 0.6497                 0.4847
 AlphaG Fr= 1--      0.0009                -0.0212                -0.0604
 Gamma2 Fr= 1--      0.1888                -1.0225                -1.8133
 Delta2 Fr= 1--      0.0225                 0.0694                -1.4530
 Raman1 Fr= 1--       8.951                 20.951                 50.398
 ROA1   Fr= 1--      18.846                -95.941               -220.578
 CID1   Fr= 1--       2.105                 -4.579                 -4.377
 Raman2 Fr= 1--       3.796                  7.796                  5.816
 ROA2   Fr= 1--       4.352                -25.095                -31.896
 CID2   Fr= 1--       1.147                 -3.219                 -5.484
 Raman3 Fr= 1--       7.591                 15.592                 11.632
 ROA3   Fr= 1--      18.846                -95.941               -220.578
 CID3   Fr= 1--       2.482                 -6.153                -18.963
 RC180  Fr= 1--       0.696                  0.488                 -0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.04  -0.04   0.01    -0.07  -0.03   0.00
     2   6    -0.02  -0.03   0.00     0.02   0.06  -0.01     0.03   0.00   0.00
     3   6    -0.06   0.06  -0.01    -0.03  -0.01   0.00     0.02  -0.01  -0.00
     4   6    -0.05  -0.03  -0.02     0.01  -0.00   0.00     0.22  -0.03   0.05
     5   6     0.01  -0.03   0.03     0.01   0.01   0.00     0.02  -0.07   0.02
     6   6     0.05   0.06  -0.01    -0.03   0.00  -0.00    -0.07   0.05  -0.02
     7   6    -0.05   0.04   0.09    -0.01   0.00  -0.00    -0.05   0.05   0.02
     8   6     0.07  -0.06  -0.06     0.00   0.00  -0.01     0.01  -0.02  -0.04
     9   8    -0.03   0.00   0.02     0.00  -0.00   0.00    -0.02   0.01   0.01
    10   6     0.01   0.03  -0.03    -0.01  -0.00   0.00     0.03   0.01  -0.00
    11   1     0.31  -0.32   0.08     0.39  -0.45   0.11    -0.31   0.23  -0.06
    12   1    -0.15  -0.37   0.06     0.20   0.55  -0.08     0.02  -0.04   0.01
    13   1    -0.28   0.02  -0.04    -0.37  -0.08  -0.01    -0.20  -0.06  -0.00
    14   1     0.40   0.13   0.01    -0.35  -0.06  -0.01    -0.23   0.02  -0.02
    15   1    -0.09   0.07   0.12    -0.04  -0.01  -0.01    -0.77   0.01   0.01
    16   6     0.04   0.02  -0.06     0.00   0.00  -0.00     0.02   0.00  -0.03
    17   1    -0.23   0.01  -0.14    -0.00   0.01  -0.01    -0.10   0.10  -0.11
    18   1     0.13   0.08   0.25    -0.00  -0.00   0.00     0.02   0.01   0.07
    19   1    -0.11  -0.05   0.03    -0.02  -0.00   0.00    -0.06  -0.00   0.01
    20   1     0.12   0.12   0.01    -0.00   0.00   0.00     0.15   0.03  -0.01
    21   1     0.04  -0.14  -0.18    -0.01   0.00   0.00    -0.02  -0.03  -0.06
    22   1    -0.02  -0.10  -0.02     0.00  -0.00  -0.01     0.00  -0.02  -0.01
    23   1    -0.03   0.02   0.12    -0.01   0.00   0.01    -0.04   0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1228.9168              1254.4697              1286.4224
 Red. masses --      2.9533                 1.1474                 1.5934
 Frc consts  --      2.6279                 1.0638                 1.5536
 IR Inten    --     10.0118                 8.6617                 4.6922
 RamAct Fr= 1--     22.4561                 4.2638                 5.6630
  Dep-P Fr= 1--      0.1069                 0.4537                 0.2344
  Dep-U Fr= 1--      0.1932                 0.6242                 0.3798
 Alpha2 Fr= 1--      0.3865                 0.0257                 0.0701
 Beta2  Fr= 1--      0.7232                 0.4436                 0.3585
 AlphaG Fr= 1--      0.0334                 0.0548                 0.0439
 Gamma2 Fr= 1--     -1.3228                -0.4130                 2.5808
 Delta2 Fr= 1--     -0.8003                -2.1833                -1.4130
 Raman1 Fr= 1--      89.824                 17.055                 22.652
 ROA1   Fr= 1--    -152.601               -109.510                202.541
 CID1   Fr= 1--      -1.699                 -6.421                  8.941
 Raman2 Fr= 1--       8.678                  5.323                  4.302
 ROA2   Fr= 1--     -25.346                  7.555                 73.243
 CID2   Fr= 1--      -2.921                  1.419                 17.027
 Raman3 Fr= 1--      17.356                 10.646                  8.603
 ROA3   Fr= 1--    -152.601               -109.510                202.541
 CID3   Fr= 1--      -8.793                -10.286                 23.542
 RC180  Fr= 1--      -0.614                  0.248                 -0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     2   6    -0.11  -0.00  -0.01     0.01   0.00   0.00     0.02  -0.02   0.01
     3   6    -0.05  -0.11   0.02    -0.01  -0.00  -0.00    -0.01  -0.04   0.01
     4   6     0.06   0.09  -0.01    -0.01   0.03   0.00     0.02   0.10  -0.01
     5   6     0.26   0.18  -0.01    -0.03  -0.03  -0.03    -0.11   0.05  -0.01
     6   6     0.04   0.03  -0.00    -0.01  -0.01   0.01     0.01  -0.05   0.01
     7   6     0.01  -0.02  -0.01     0.03  -0.00   0.03     0.10  -0.01   0.01
     8   6    -0.03   0.05  -0.03    -0.03   0.01  -0.01    -0.07  -0.01   0.00
     9   8     0.06  -0.06   0.03     0.04  -0.02   0.02     0.02   0.02  -0.03
    10   6    -0.14  -0.06   0.01    -0.01   0.02  -0.01    -0.00  -0.03   0.03
    11   1    -0.02   0.04  -0.01     0.01  -0.01   0.01    -0.04   0.03  -0.01
    12   1    -0.29  -0.46   0.07     0.02   0.01  -0.01     0.06   0.09  -0.01
    13   1    -0.48  -0.20   0.01    -0.07  -0.01  -0.01    -0.49  -0.13  -0.00
    14   1    -0.14   0.01  -0.00     0.13   0.01   0.00     0.61   0.06   0.03
    15   1    -0.04  -0.04  -0.04    -0.27   0.06   0.09    -0.20  -0.15  -0.10
    16   6    -0.01   0.00   0.01    -0.00   0.02  -0.02    -0.03  -0.01  -0.00
    17   1     0.07   0.08  -0.01    -0.03  -0.37   0.14     0.08   0.12  -0.02
    18   1    -0.06  -0.06  -0.04     0.06   0.41  -0.22    -0.07  -0.02  -0.12
    19   1    -0.18  -0.11   0.02     0.54  -0.00  -0.01    -0.11   0.04  -0.02
    20   1    -0.39  -0.09   0.03    -0.45   0.01   0.03     0.37  -0.07  -0.04
    21   1     0.00   0.01   0.02     0.05  -0.05  -0.08     0.07   0.05   0.06
    22   1     0.00   0.02   0.02    -0.02  -0.01   0.04     0.00   0.09   0.07
    23   1     0.00  -0.00  -0.01     0.02  -0.02   0.05     0.04  -0.06  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1310.0657              1332.4839              1348.4035
 Red. masses --      1.4228                 2.3005                 1.5786
 Frc consts  --      1.4387                 2.4066                 1.6910
 IR Inten    --      3.2855                 0.5223                 3.7080
 RamAct Fr= 1--      8.7021                11.5279                11.9673
  Dep-P Fr= 1--      0.1740                 0.2636                 0.4320
  Dep-U Fr= 1--      0.2964                 0.4173                 0.6034
 Alpha2 Fr= 1--      0.1265                 0.1315                 0.0787
 Beta2  Fr= 1--      0.4299                 0.8017                 1.2035
 AlphaG Fr= 1--      0.1162                -0.1424                -0.1485
 Gamma2 Fr= 1--     -1.5990                -0.7739                -0.5830
 Delta2 Fr= 1--      1.7912                 1.5070                -2.1696
 Raman1 Fr= 1--      34.808                 46.112                 47.869
 ROA1   Fr= 1--     -96.181                -26.071               -125.399
 CID1   Fr= 1--      -2.763                 -0.565                 -2.620
 Raman2 Fr= 1--       5.159                  9.620                 14.441
 ROA2   Fr= 1--     -52.705                -30.630                  3.364
 CID2   Fr= 1--     -10.217                 -3.184                  0.233
 Raman3 Fr= 1--      10.318                 19.240                 28.883
 ROA3   Fr= 1--     -96.181                -26.071               -125.399
 CID3   Fr= 1--      -9.322                 -1.355                 -4.342
 RC180  Fr= 1--      -0.407                 -0.165                  0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.01    -0.08   0.07  -0.02     0.04  -0.04   0.01
     2   6    -0.01  -0.05   0.01    -0.05  -0.10   0.02     0.02   0.04  -0.01
     3   6     0.06  -0.00   0.01     0.12   0.00   0.00    -0.05  -0.01  -0.00
     4   6     0.04  -0.04   0.00     0.02  -0.11   0.03     0.00   0.07   0.01
     5   6    -0.05   0.07  -0.04    -0.05   0.14  -0.02     0.01  -0.04  -0.00
     6   6     0.04   0.00   0.01     0.10   0.03   0.00    -0.06  -0.02  -0.00
     7   6    -0.05   0.04   0.00    -0.07  -0.08  -0.04     0.03  -0.13  -0.08
     8   6     0.05  -0.01  -0.02     0.02   0.04   0.04     0.03   0.02   0.02
     9   8    -0.05   0.03   0.05     0.01   0.02  -0.05    -0.04   0.01   0.03
    10   6    -0.01  -0.03  -0.03    -0.05  -0.05   0.03     0.02   0.01  -0.02
    11   1    -0.03   0.00  -0.00     0.02  -0.05   0.01    -0.05   0.06  -0.01
    12   1     0.04   0.10  -0.02     0.04   0.15  -0.02     0.01   0.00   0.00
    13   1    -0.22  -0.06  -0.01    -0.24  -0.07   0.01    -0.01   0.00   0.01
    14   1     0.11   0.02   0.00    -0.05   0.00  -0.01     0.16   0.02   0.01
    15   1     0.17  -0.20  -0.20    -0.07   0.48   0.43    -0.05   0.51   0.45
    16   6     0.01  -0.03   0.02     0.02   0.05  -0.03    -0.01   0.06  -0.02
    17   1    -0.04   0.26  -0.14    -0.03  -0.38   0.19     0.12   0.34  -0.08
    18   1    -0.03  -0.34   0.24     0.03   0.07  -0.06    -0.07  -0.40   0.17
    19   1     0.65  -0.00  -0.04    -0.03   0.04  -0.04     0.18   0.00  -0.01
    20   1    -0.26   0.04   0.04     0.32  -0.06  -0.02    -0.15   0.05   0.03
    21   1    -0.05   0.06   0.08    -0.02  -0.09  -0.14     0.03  -0.07  -0.11
    22   1     0.04   0.01  -0.06    -0.06  -0.09   0.07    -0.09  -0.07   0.12
    23   1    -0.04   0.03  -0.05    -0.03   0.03   0.14     0.04  -0.03   0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1359.6073              1382.8457              1403.0985
 Red. masses --      1.8434                 1.2976                 1.2715
 Frc consts  --      2.0076                 1.4619                 1.4749
 IR Inten    --      2.6903                 3.4691                 7.5370
 RamAct Fr= 1--      4.4158                 0.6782                 2.3150
  Dep-P Fr= 1--      0.0589                 0.4359                 0.2523
  Dep-U Fr= 1--      0.1112                 0.6072                 0.4029
 Alpha2 Fr= 1--      0.0854                 0.0044                 0.0273
 Beta2  Fr= 1--      0.0819                 0.0686                 0.1554
 AlphaG Fr= 1--      0.0888                 0.0093                -0.0229
 Gamma2 Fr= 1--      0.5153                -0.1643                 0.2951
 Delta2 Fr= 1--      1.0006                -0.2361                -0.0426
 Raman1 Fr= 1--      17.663                  2.713                  9.260
 ROA1   Fr= 1--      81.486                -23.333                 26.964
 CID1   Fr= 1--       4.613                 -8.602                  2.912
 Raman2 Fr= 1--       0.982                  0.824                  1.865
 ROA2   Fr= 1--       4.362                 -2.055                  7.423
 CID2   Fr= 1--       4.441                 -2.496                  3.979
 Raman3 Fr= 1--       1.965                  1.647                  3.731
 ROA3   Fr= 1--      81.486                -23.333                 26.964
 CID3   Fr= 1--      41.477                -14.166                  7.227
 RC180  Fr= 1--      -0.778                  0.214                 -0.194
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.08   0.02     0.02  -0.00   0.00     0.01  -0.00   0.00
     2   6     0.02   0.04  -0.01     0.01   0.04  -0.01     0.01   0.03  -0.00
     3   6    -0.02  -0.01   0.00    -0.05  -0.01  -0.00    -0.03  -0.01   0.00
     4   6     0.10   0.08  -0.02    -0.01   0.01   0.00     0.01   0.00  -0.00
     5   6     0.01  -0.03   0.01     0.04  -0.01   0.00     0.02  -0.00   0.00
     6   6    -0.09  -0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
     7   6    -0.17  -0.02   0.01     0.04  -0.00   0.03    -0.02   0.01  -0.01
     8   6     0.05   0.05   0.02     0.02   0.07  -0.01    -0.02  -0.04   0.01
     9   8    -0.00  -0.00  -0.03    -0.02   0.03  -0.02     0.01   0.02  -0.00
    10   6     0.00  -0.00   0.01    -0.08  -0.04   0.01    -0.07  -0.03   0.01
    11   1    -0.21   0.20  -0.06     0.08  -0.07   0.02     0.04  -0.04   0.01
    12   1     0.04   0.09  -0.01    -0.06  -0.14   0.02    -0.04  -0.10   0.01
    13   1    -0.24  -0.05  -0.01     0.18   0.03   0.01     0.11   0.02  -0.00
    14   1     0.29   0.05   0.01    -0.09  -0.03  -0.00    -0.05  -0.02  -0.00
    15   1     0.62  -0.03  -0.02    -0.19  -0.12  -0.06     0.08   0.06   0.03
    16   6     0.05   0.00   0.01    -0.02   0.02   0.02     0.04  -0.05  -0.09
    17   1    -0.13  -0.42   0.16    -0.14  -0.40   0.13     0.09   0.13  -0.02
    18   1     0.05   0.07  -0.01    -0.11  -0.42   0.07     0.05   0.21  -0.01
    19   1    -0.02   0.00  -0.00     0.40   0.06  -0.06     0.28   0.08  -0.06
    20   1     0.09  -0.00  -0.00     0.48   0.05  -0.00     0.32   0.06   0.02
    21   1    -0.17  -0.04  -0.03     0.07  -0.09  -0.06    -0.16   0.37   0.26
    22   1     0.00  -0.12  -0.07    -0.01  -0.05  -0.11     0.02   0.14   0.43
    23   1    -0.06   0.09  -0.01     0.10  -0.05  -0.08    -0.28   0.08   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.1794              1486.7781              1490.0524
 Red. masses --      1.3198                 1.6298                 1.1659
 Frc consts  --      1.5706                 2.1227                 1.5252
 IR Inten    --      9.9674                 9.4606                 1.4798
 RamAct Fr= 1--      4.7404                 4.1739                15.4215
  Dep-P Fr= 1--      0.5743                 0.5534                 0.6368
  Dep-U Fr= 1--      0.7296                 0.7125                 0.7781
 Alpha2 Fr= 1--      0.0157                 0.0157                 0.0316
 Beta2  Fr= 1--      0.5765                 0.4957                 1.9999
 AlphaG Fr= 1--     -0.0479                -0.0029                 0.0458
 Gamma2 Fr= 1--     -0.1944                -0.0359                -0.1151
 Delta2 Fr= 1--      0.2406                 2.1004                 0.0184
 Raman1 Fr= 1--      18.962                 16.696                 61.686
 ROA1   Fr= 1--     -10.961                 63.770                -10.461
 CID1   Fr= 1--      -0.578                  3.820                 -0.170
 Raman2 Fr= 1--       6.918                  5.948                 23.999
 ROA2   Fr= 1--      -6.590                -17.664                 -2.910
 CID2   Fr= 1--      -0.953                 -2.970                 -0.121
 Raman3 Fr= 1--      13.835                 11.896                 47.999
 ROA3   Fr= 1--     -10.961                 63.770                -10.461
 CID3   Fr= 1--      -0.792                  5.361                 -0.218
 RC180  Fr= 1--       0.459                  0.425                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00     0.10  -0.05   0.02    -0.04   0.03  -0.01
     2   6     0.01   0.02  -0.00    -0.07  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.00   0.00     0.01   0.07  -0.01    -0.01  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.08  -0.06   0.01     0.03   0.01   0.00
     5   6     0.02  -0.01  -0.00     0.09  -0.01   0.01    -0.04   0.02  -0.01
     6   6    -0.01  -0.00  -0.00    -0.04   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.03   0.01  -0.03     0.02   0.02   0.00    -0.01   0.01   0.00
     8   6    -0.03  -0.09   0.03     0.00   0.00  -0.01     0.03   0.01   0.02
     9   8     0.02   0.02   0.00     0.00  -0.01   0.00     0.01  -0.01   0.01
    10   6    -0.08  -0.03   0.01    -0.02  -0.05  -0.00     0.02  -0.05   0.00
    11   1     0.01  -0.02   0.00    -0.24   0.34  -0.08     0.11  -0.14   0.03
    12   1    -0.03  -0.07   0.01     0.10   0.40  -0.07    -0.03  -0.15   0.02
    13   1     0.02   0.00   0.00    -0.09   0.06  -0.02     0.07  -0.01   0.01
    14   1    -0.05  -0.01  -0.00     0.11   0.09  -0.01     0.01  -0.03   0.01
    15   1     0.16   0.11   0.05    -0.09  -0.01  -0.02     0.01  -0.02  -0.02
    16   6    -0.02   0.03   0.07    -0.02  -0.01  -0.01     0.01   0.02  -0.01
    17   1     0.14   0.39  -0.11    -0.01  -0.02  -0.00    -0.34   0.07  -0.09
    18   1     0.10   0.44  -0.11     0.00   0.01   0.00    -0.03  -0.08  -0.34
    19   1     0.28   0.11  -0.08    -0.04   0.37  -0.28    -0.14   0.37  -0.27
    20   1     0.31   0.09   0.04     0.02   0.37   0.30    -0.14   0.34   0.30
    21   1     0.08  -0.28  -0.19     0.22   0.07   0.07    -0.20   0.10   0.05
    22   1    -0.01  -0.09  -0.30     0.04   0.07  -0.12    -0.13  -0.28   0.10
    23   1     0.16  -0.02  -0.28    -0.00  -0.06   0.15     0.19  -0.13  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1493.8160              1504.3650              1506.9346
 Red. masses --      1.0923                 1.1050                 1.1550
 Frc consts  --      1.4361                 1.4734                 1.5453
 IR Inten    --      6.0169                 1.5069                 6.3065
 RamAct Fr= 1--      3.5755                 5.5105                 3.7055
  Dep-P Fr= 1--      0.7016                 0.7496                 0.3206
  Dep-U Fr= 1--      0.8246                 0.8569                 0.4855
 Alpha2 Fr= 1--      0.0030                 0.0000                 0.0357
 Beta2  Fr= 1--      0.4914                 0.7870                 0.2998
 AlphaG Fr= 1--      0.0219                -0.0017                -0.0275
 Gamma2 Fr= 1--     -2.5080                 0.2910                -1.1670
 Delta2 Fr= 1--     -1.3427                -1.1686                 0.8416
 Raman1 Fr= 1--      14.302                 22.042                 14.822
 ROA1   Fr= 1--    -283.736                 -9.457                -85.097
 CID1   Fr= 1--     -19.839                 -0.429                 -5.741
 Raman2 Fr= 1--       5.897                  9.444                  3.598
 ROA2   Fr= 1--     -49.451                 16.333                -34.740
 CID2   Fr= 1--      -8.386                  1.730                 -9.655
 Raman3 Fr= 1--      11.794                 18.888                  7.196
 ROA3   Fr= 1--    -283.736                 -9.457                -85.097
 CID3   Fr= 1--     -24.057                 -0.501                -11.826
 RC180  Fr= 1--       0.649                  0.714                 -0.029
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.00    -0.02   0.01  -0.00    -0.04   0.01  -0.00
     2   6     0.02   0.02  -0.00     0.02   0.03  -0.00     0.02   0.03  -0.00
     3   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.02  -0.02   0.00
     4   6     0.02   0.01   0.00     0.02   0.01  -0.00     0.02   0.02  -0.00
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.00    -0.03  -0.01  -0.00
     6   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     7   6     0.00  -0.02   0.01    -0.04  -0.02  -0.01    -0.02  -0.00  -0.00
     8   6    -0.01   0.01  -0.01     0.03   0.01   0.03    -0.04   0.01  -0.05
     9   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    10   6     0.02  -0.03   0.00     0.00   0.01   0.00     0.03  -0.03   0.00
    11   1     0.07  -0.09   0.02     0.04  -0.07   0.02     0.05  -0.10   0.02
    12   1    -0.01  -0.08   0.01    -0.03  -0.10   0.02    -0.04  -0.14   0.02
    13   1     0.06  -0.01  -0.00     0.00  -0.02  -0.00    -0.02  -0.03   0.00
    14   1     0.03  -0.01   0.01    -0.03  -0.02   0.00    -0.05  -0.03   0.00
    15   1    -0.03   0.02   0.05     0.08   0.03   0.03     0.05  -0.03  -0.03
    16   6     0.01  -0.04   0.02    -0.04  -0.02  -0.01    -0.02   0.01  -0.00
    17   1     0.09  -0.07   0.04    -0.28   0.06  -0.06     0.50  -0.17   0.14
    18   1    -0.01  -0.02   0.12    -0.01  -0.04  -0.28     0.03   0.12   0.53
    19   1    -0.09   0.22  -0.17    -0.00  -0.02   0.02    -0.08   0.17  -0.13
    20   1    -0.09   0.21   0.19    -0.01  -0.03  -0.02    -0.06   0.16   0.14
    21   1     0.00  -0.29  -0.21     0.61   0.08   0.10     0.21   0.14   0.12
    22   1     0.21   0.48   0.07     0.16   0.27  -0.38    -0.04  -0.14  -0.19
    23   1    -0.39   0.39  -0.22    -0.11  -0.05   0.38     0.15  -0.20   0.22
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2893              1625.7984              1651.6722
 Red. masses --      2.3865                 6.4059                 5.7908
 Frc consts  --      3.2971                 9.9762                 9.3076
 IR Inten    --     15.9820                 2.1688                 1.3194
 RamAct Fr= 1--      1.2768                18.1824                33.9033
  Dep-P Fr= 1--      0.6738                 0.4517                 0.7197
  Dep-U Fr= 1--      0.8051                 0.6223                 0.8370
 Alpha2 Fr= 1--      0.0017                 0.1107                 0.0177
 Beta2  Fr= 1--      0.1713                 1.8858                 4.7295
 AlphaG Fr= 1--     -0.0167                -0.3008                -0.0148
 Gamma2 Fr= 1--     -0.6208                 3.3548                -2.1399
 Delta2 Fr= 1--      0.3363                -1.9161                 3.8827
 Raman1 Fr= 1--       5.107                 72.730                135.613
 ROA1   Fr= 1--     -48.833                260.743                -81.179
 CID1   Fr= 1--      -9.562                  3.585                 -0.599
 Raman2 Fr= 1--       2.056                 22.630                 56.754
 ROA2   Fr= 1--     -17.590                 95.844                -82.419
 CID2   Fr= 1--      -8.556                  4.235                 -1.452
 Raman3 Fr= 1--       4.112                 45.259                113.507
 ROA3   Fr= 1--     -48.833                260.743                -81.179
 CID3   Fr= 1--     -11.877                  5.761                 -0.715
 RC180  Fr= 1--       0.610                  0.245                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.02     0.15  -0.29   0.06    -0.21   0.05  -0.02
     2   6    -0.05   0.09  -0.02     0.03   0.33  -0.06     0.18   0.12  -0.01
     3   6     0.16   0.04   0.00    -0.03   0.15  -0.03     0.33   0.04   0.01
     4   6    -0.11   0.11  -0.03    -0.00  -0.32   0.06    -0.21  -0.08   0.00
     5   6    -0.05  -0.14   0.02    -0.11   0.30  -0.06     0.23   0.00   0.02
     6   6     0.16   0.02   0.01     0.02  -0.15   0.03    -0.33  -0.08  -0.01
     7   6     0.02  -0.03   0.01     0.01   0.04  -0.01     0.03   0.01   0.00
     8   6     0.01   0.01   0.01     0.00  -0.01  -0.00     0.01   0.00   0.00
     9   8     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.02  -0.00     0.02  -0.03   0.01    -0.03   0.00  -0.00
    11   1    -0.25   0.14  -0.04    -0.33   0.24  -0.07     0.04  -0.27   0.05
    12   1    -0.18  -0.22   0.03    -0.22  -0.35   0.05     0.06  -0.26   0.05
    13   1    -0.54  -0.09  -0.02    -0.05   0.15  -0.03    -0.42  -0.10  -0.00
    14   1    -0.54  -0.12  -0.02     0.02  -0.16   0.03     0.45   0.07   0.02
    15   1     0.10  -0.02   0.01    -0.20   0.03   0.00    -0.07  -0.01  -0.01
    16   6     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.01
    17   1    -0.08   0.02  -0.02     0.01  -0.01  -0.00    -0.03  -0.00  -0.00
    18   1    -0.02  -0.06  -0.08     0.02   0.05   0.02     0.00  -0.02  -0.02
    19   1     0.07   0.11  -0.07    -0.11  -0.08   0.04     0.04  -0.04   0.03
    20   1     0.09   0.13   0.07    -0.16  -0.12  -0.04     0.07  -0.01  -0.03
    21   1    -0.08  -0.03  -0.03    -0.00  -0.01  -0.01    -0.03   0.01   0.00
    22   1     0.01   0.03   0.08    -0.01  -0.01   0.00    -0.00   0.01   0.05
    23   1    -0.05   0.06  -0.06     0.02  -0.01  -0.03    -0.01   0.01  -0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.9015              2973.9070              3016.6346
 Red. masses --      1.0729                 1.0708                 1.0828
 Frc consts  --      5.4786                 5.5796                 5.8057
 IR Inten    --     53.9367                59.4086                33.5760
 RamAct Fr= 1--    220.0186               122.7561               133.3498
  Dep-P Fr= 1--      0.1927                 0.2075                 0.2072
  Dep-U Fr= 1--      0.3231                 0.3437                 0.3433
 Alpha2 Fr= 1--      3.0464                 1.6341                 1.7766
 Beta2  Fr= 1--     11.8473                 7.0314                 7.6289
 AlphaG Fr= 1--      3.6312                -0.4517                -2.8370
 Gamma2 Fr= 1--     11.2084               -11.4953               -12.3237
 Delta2 Fr= 1--      6.2871                -1.8403                -2.8674
 Raman1 Fr= 1--     880.074                491.025                533.399
 ROA1   Fr= 1--    1277.197              -1162.439              -1274.837
 CID1   Fr= 1--       1.451                 -2.367                 -2.390
 Raman2 Fr= 1--     142.167                 84.377                 91.547
 ROA2   Fr= 1--     218.705               -261.165               -272.831
 CID2   Fr= 1--       1.538                 -3.095                 -2.980
 Raman3 Fr= 1--     284.335                168.755                183.095
 ROA3   Fr= 1--    1277.197              -1162.439              -1274.837
 CID3   Fr= 1--       4.492                 -6.888                 -6.963
 RC180  Fr= 1--      -0.354                 -0.313                 -0.313
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.01   0.01    -0.00   0.05  -0.06
     8   6     0.00   0.00   0.00     0.00  -0.03  -0.07     0.00  -0.00  -0.01
     9   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00    -0.01   0.10  -0.13     0.02  -0.62   0.75
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    17   1     0.01  -0.03  -0.05    -0.19   0.33   0.88    -0.03   0.06   0.15
    18   1    -0.02   0.00   0.00     0.19  -0.06  -0.02     0.02  -0.00  -0.00
    19   1    -0.01   0.56   0.82    -0.01   0.03   0.04    -0.00   0.01   0.01
    20   1    -0.02   0.05  -0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.03  -0.04
    22   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.10   0.04  -0.02
    23   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.05   0.05   0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.0658              3075.6648              3085.9820
 Red. masses --      1.0363                 1.0879                 1.0935
 Frc consts  --      5.6171                 6.0636                 6.1354
 IR Inten    --     31.9269                21.3002                27.4126
 RamAct Fr= 1--    234.6719               121.8513               137.6675
  Dep-P Fr= 1--      0.0481                 0.3497                 0.2502
  Dep-U Fr= 1--      0.0918                 0.5182                 0.4002
 Alpha2 Fr= 1--      4.6564                 1.0708                 1.6308
 Beta2  Fr= 1--      3.5903                10.5239                 9.1830
 AlphaG Fr= 1--      0.4462                -2.0608                -0.1672
 Gamma2 Fr= 1--      1.2210                -3.2839                 2.0225
 Delta2 Fr= 1--      1.8451                -0.6395                 0.0054
 Raman1 Fr= 1--     938.687                487.405                550.670
 ROA1   Fr= 1--     176.260               -335.718                194.329
 CID1   Fr= 1--       0.188                 -0.689                  0.353
 Raman2 Fr= 1--      43.084                126.286                110.196
 ROA2   Fr= 1--      14.544                -73.698                 48.496
 CID2   Fr= 1--       0.338                 -0.584                  0.440
 Raman3 Fr= 1--      86.167                252.573                220.392
 ROA3   Fr= 1--     176.260               -335.718                194.329
 CID3   Fr= 1--       2.046                 -1.329                  0.882
 RC180  Fr= 1--      -0.816                  0.036                 -0.200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.08   0.03   0.02
     9   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.04  -0.07     0.00  -0.01   0.01
    11   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.02  -0.01     0.00  -0.01   0.00
    15   1     0.00  -0.05   0.06     0.00   0.00  -0.00    -0.00  -0.01   0.01
    16   6    -0.03   0.03   0.03     0.00   0.00   0.00     0.01   0.00   0.01
    17   1    -0.00   0.01   0.03     0.00  -0.01  -0.02     0.02  -0.06  -0.16
    18   1    -0.03   0.01   0.00     0.09  -0.02  -0.01     0.92  -0.25  -0.06
    19   1    -0.00   0.00   0.00     0.00   0.07   0.07     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.10  -0.59   0.79    -0.01   0.06  -0.08
    21   1     0.01   0.32  -0.38     0.00   0.00  -0.00     0.01   0.06  -0.07
    22   1     0.65  -0.27   0.11    -0.01   0.00  -0.00    -0.09   0.04  -0.02
    23   1    -0.32  -0.36  -0.11    -0.01  -0.01  -0.00    -0.08  -0.11  -0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3096.2558              3111.1214              3153.7078
 Red. masses --      1.0997                 1.1022                 1.0870
 Frc consts  --      6.2116                 6.2858                 6.3697
 IR Inten    --     45.6651                16.4119                14.1620
 RamAct Fr= 1--    138.2581                34.7252                37.5404
  Dep-P Fr= 1--      0.6544                 0.6973                 0.4070
  Dep-U Fr= 1--      0.7911                 0.8217                 0.5785
 Alpha2 Fr= 1--      0.2366                 0.0319                 0.2712
 Beta2  Fr= 1--     18.2299                 4.7556                 3.6198
 AlphaG Fr= 1--     -0.1131                 0.0353                -0.1148
 Gamma2 Fr= 1--     -4.2675                 5.0663                -0.0540
 Delta2 Fr= 1--     -3.8020                 5.1484                 1.2502
 Raman1 Fr= 1--     553.033                138.901                150.162
 ROA1   Fr= 1--    -531.342                651.118                 34.821
 CID1   Fr= 1--      -0.961                  4.688                  0.232
 Raman2 Fr= 1--     218.759                 57.067                 43.438
 ROA2   Fr= 1--     -72.003                 80.404                -11.298
 CID2   Fr= 1--      -0.329                  1.409                 -0.260
 Raman3 Fr= 1--     437.517                114.133                 86.875
 ROA3   Fr= 1--    -531.342                651.118                 34.821
 CID3   Fr= 1--      -1.214                  5.705                  0.401
 RC180  Fr= 1--       0.582                  0.643                  0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.07   0.01
     7   6    -0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
     8   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.15  -0.13   0.01
    12   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.30  -0.10   0.04
    13   1     0.00  -0.01   0.00    -0.00   0.02  -0.00    -0.06   0.32  -0.06
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.16   0.83  -0.16
    15   1     0.00  -0.03   0.04     0.00  -0.06   0.07    -0.00   0.00  -0.00
    16   6    -0.08   0.00  -0.04     0.02   0.08  -0.04    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.18  -0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    21   1    -0.03  -0.23   0.26    -0.02  -0.50   0.61     0.00   0.00  -0.00
    22   1     0.60  -0.26   0.10     0.13  -0.03   0.01     0.00  -0.00   0.00
    23   1     0.38   0.48   0.14    -0.37  -0.43  -0.14     0.00   0.01   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3158.2020              3177.3846              3192.6550
 Red. masses --      1.0880                 1.0905                 1.0966
 Frc consts  --      6.3941                 6.4868                 6.5858
 IR Inten    --      2.6554                17.8085                20.1273
 RamAct Fr= 1--    136.5131                85.3960               284.4389
  Dep-P Fr= 1--      0.4400                 0.7496                 0.1297
  Dep-U Fr= 1--      0.6111                 0.8569                 0.2296
 Alpha2 Fr= 1--      0.8707                 0.0006                 4.6279
 Beta2  Fr= 1--     13.9043                12.1958                10.8833
 AlphaG Fr= 1--      0.2900                -0.0050                 0.3789
 Gamma2 Fr= 1--      1.2171                 0.6886                 1.8150
 Delta2 Fr= 1--     -1.0546                -3.7388                 3.5387
 Raman1 Fr= 1--     546.052                341.584               1137.756
 ROA1   Fr= 1--      83.094                -53.532                287.482
 CID1   Fr= 1--       0.152                 -0.157                  0.253
 Raman2 Fr= 1--     166.852                146.349                130.600
 ROA2   Fr= 1--      37.647                 46.437                 15.251
 CID2   Fr= 1--       0.226                  0.317                  0.117
 Raman3 Fr= 1--     333.704                292.699                261.199
 ROA3   Fr= 1--      83.094                -53.532                287.482
 CID3   Fr= 1--       0.249                 -0.183                  1.101
 RC180  Fr= 1--       0.222                  0.714                 -0.541
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.00     0.04   0.03  -0.00    -0.05  -0.04   0.00
     2   6     0.00  -0.00   0.00    -0.05   0.02  -0.01    -0.06   0.02  -0.01
     3   6     0.01  -0.07   0.01    -0.01   0.03  -0.01     0.01  -0.02   0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.01   0.03  -0.01    -0.00   0.02  -0.00    -0.00   0.02  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.23  -0.20   0.02    -0.48  -0.41   0.04     0.51   0.44  -0.05
    12   1    -0.03   0.01  -0.00     0.61  -0.21   0.08     0.64  -0.22   0.09
    13   1    -0.15   0.83  -0.16     0.06  -0.30   0.06    -0.04   0.18  -0.04
    14   1     0.07  -0.37   0.07     0.04  -0.25   0.05     0.03  -0.17   0.03
    15   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   911.056091791.251472470.69734
           X            0.99949  -0.03176   0.00283
           Y            0.03173   0.99945   0.00976
           Z           -0.00314  -0.00967   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09507     0.04835     0.03506
 Rotational constants (GHZ):           1.98093     1.00753     0.73046
 Zero-point vibrational energy     518297.9 (Joules/Mol)
                                  123.87617 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    132.38   171.56   289.98   334.16   365.31
          (Kelvin)            464.60   514.00   554.85   634.34   678.14
                              755.33   797.15   894.76  1016.37  1057.94
                             1070.62  1109.84  1214.26  1262.88  1279.81
                             1346.04  1354.97  1387.28  1406.40  1473.36
                             1493.24  1530.15  1566.55  1627.99  1646.28
                             1664.84  1706.90  1751.34  1768.14  1804.90
                             1850.87  1884.89  1917.15  1940.05  1956.17
                             1989.61  2018.75  2044.76  2139.14  2143.85
                             2149.27  2164.45  2168.14  2203.18  2339.16
                             2376.39  4235.62  4278.79  4340.26  4363.91
                             4425.20  4440.04  4454.82  4476.21  4537.48
                             4543.95  4571.55  4593.52
 
 Zero-point correction=                           0.197409 (Hartree/Particle)
 Thermal correction to Energy=                    0.206472
 Thermal correction to Enthalpy=                  0.207416
 Thermal correction to Gibbs Free Energy=         0.163476
 Sum of electronic and zero-point Energies=           -463.529675
 Sum of electronic and thermal Energies=              -463.520613
 Sum of electronic and thermal Enthalpies=            -463.519668
 Sum of electronic and thermal Free Energies=         -463.563609
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.563             36.629             92.480
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.779
 Vibrational            127.786             30.667             21.813
 Vibration     1          0.602              1.955              3.617
 Vibration     2          0.609              1.933              3.113
 Vibration     3          0.638              1.838              2.119
 Vibration     4          0.653              1.792              1.861
 Vibration     5          0.665              1.756              1.703
 Vibration     6          0.708              1.630              1.295
 Vibration     7          0.732              1.560              1.134
 Vibration     8          0.754              1.501              1.017
 Vibration     9          0.801              1.381              0.824
 Vibration    10          0.828              1.314              0.734
 Vibration    11          0.880              1.195              0.599
 Vibration    12          0.909              1.131              0.536
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.640235D-75        -75.193660       -173.139801
 Total V=0       0.405704D+16         15.608209         35.939230
 Vib (Bot)       0.125747D-88        -88.900504       -204.700975
 Vib (Bot)    1  0.223392D+01          0.349067          0.803757
 Vib (Bot)    2  0.171415D+01          0.234050          0.538920
 Vib (Bot)    3  0.988725D+00         -0.004924         -0.011339
 Vib (Bot)    4  0.847206D+00         -0.072011         -0.165811
 Vib (Bot)    5  0.767262D+00         -0.115056         -0.264927
 Vib (Bot)    6  0.581121D+00         -0.235733         -0.542796
 Vib (Bot)    7  0.514003D+00         -0.289035         -0.665527
 Vib (Bot)    8  0.466986D+00         -0.330696         -0.761456
 Vib (Bot)    9  0.391819D+00         -0.406914         -0.936954
 Vib (Bot)   10  0.357463D+00         -0.446769         -1.028723
 Vib (Bot)   11  0.306059D+00         -0.514194         -1.183976
 Vib (Bot)   12  0.282145D+00         -0.549528         -1.265334
 Vib (V=0)       0.796830D+02          1.901366          4.378057
 Vib (V=0)    1  0.278919D+01          0.445478          1.025751
 Vib (V=0)    2  0.228559D+01          0.358998          0.826623
 Vib (V=0)    3  0.160796D+01          0.206275          0.474967
 Vib (V=0)    4  0.148375D+01          0.171360          0.394571
 Vib (V=0)    5  0.141580D+01          0.151002          0.347695
 Vib (V=0)    6  0.126662D+01          0.102645          0.236350
 Vib (V=0)    7  0.121708D+01          0.085318          0.196452
 Vib (V=0)    8  0.118416D+01          0.073411          0.169034
 Vib (V=0)    9  0.113523D+01          0.055085          0.126839
 Vib (V=0)   10  0.111464D+01          0.047134          0.108530
 Vib (V=0)   11  0.108624D+01          0.035924          0.082718
 Vib (V=0)   12  0.107411D+01          0.031050          0.071495
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.718797D+06          5.856606         13.485334
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 3322                                                 111111111111111111111111111                                         
   11111000 0099                                                 6655544444333332222111100009999 888 7777   6 5 5 44 33 3 222   1    
   97551987 3174                                                 5230099820864318521854386327643 974 7430   2 5 2 74 85 2 530   19   
   37841666 3744                                                 2617440713308206497674294847426 084 1456   2 4 5 11 67 3 422   92   
 
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   XX XXXXX XXXX                                                   X                  X    X   X     XX                              
   XX   XXX XXXX                                                                      X              XX                              
        XXX XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        X   XXXX                                                                      X                                              
        X    XXX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
              XX                                                                      X                                              
              XX                                                                      X                                              
              X                                                                       X                                              
              X                                                                       X                                              
                                                                                      X                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000027    0.000005340    0.000001084
      2        6          -0.000006133   -0.000001630   -0.000002375
      3        6          -0.000000263    0.000000389   -0.000004202
      4        6           0.000009385   -0.000005473   -0.000005547
      5        6          -0.000005412   -0.000005575    0.000004900
      6        6           0.000002905    0.000002589    0.000003920
      7        6           0.000004272    0.000003956    0.000000704
      8        6          -0.000006133   -0.000005180   -0.000003942
      9        8           0.000003643    0.000016484    0.000017231
     10        6          -0.000005676   -0.000002001   -0.000018918
     11        1          -0.000000008   -0.000000250    0.000000693
     12        1           0.000000245    0.000000232    0.000001076
     13        1          -0.000003571    0.000000692    0.000005274
     14        1          -0.000001332    0.000000365   -0.000000670
     15        1           0.000001386   -0.000000610   -0.000001290
     16        6          -0.000001587   -0.000003767   -0.000001664
     17        1          -0.000001926    0.000000802   -0.000001056
     18        1           0.000000337    0.000000429    0.000002044
     19        1           0.000004594   -0.000002118    0.000004192
     20        1           0.000000562   -0.000004645   -0.000002538
     21        1           0.000002824   -0.000000752    0.000002106
     22        1          -0.000000115    0.000001729    0.000000254
     23        1           0.000002031   -0.000001006   -0.000001277
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018918 RMS     0.000004846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153240D+03 -0.268783D+01  0.275384D+01
      2  -0.268783D+01  0.133853D+03 -0.380705D+01
      3   0.275384D+01 -0.380705D+01  0.887378D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.225240D+01 -0.590981D+01 -0.120499D+02
      2   0.774706D+01 -0.124078D+02 -0.429521D+01
      3   0.513129D+01 -0.517227D+02  0.937866D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.147466D+03  0.169357D+02  0.397515D+01
      2  -0.762775D+02  0.375810D+01  0.110262D+02
      3  -0.711889D+02 -0.206938D+02 -0.150014D+02
      4   0.542356D+02  0.690638D+02 -0.289470D+02
      5   0.132504D+01 -0.304253D+02 -0.163475D+02
      6  -0.141192D+02  0.705423D+01  0.157442D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.174276D+01  0.209491D+01 -0.394625D+00  0.553495D+01 -0.114578D+01
      2   0.209491D+01  0.221003D+01 -0.609489D+00 -0.114578D+01  0.252902D+01
      3  -0.394625D+00 -0.609489D+00  0.254253D+01  0.967267D+00  0.109705D+01
                 6             7             8             9            10 
      1   0.967267D+00 -0.158040D+01  0.873289D+00  0.438662D+01  0.549477D+01
      2   0.109705D+01  0.873289D+00  0.758013D+00  0.302321D+01 -0.135946D+01
      3   0.211984D+01  0.438662D+01  0.302321D+01 -0.836242D+00 -0.445409D+00
                11            12            13            14            15 
      1  -0.135946D+01 -0.445409D+00 -0.298212D+01 -0.196105D+01  0.122702D+01
      2   0.295417D+01 -0.494308D-01 -0.196105D+01 -0.265278D+01 -0.870627D+00
      3  -0.494308D-01  0.295401D+01  0.122702D+01 -0.870627D+00 -0.933315D+00
                16            17            18            19            20 
      1   0.133247D+00  0.136120D+01  0.533742D+01  0.582194D+00 -0.559396D+01
      2   0.136120D+01  0.177145D+00 -0.143841D+01 -0.559396D+01 -0.687258D-01
      3   0.533742D+01 -0.143841D+01  0.148270D+01  0.266857D+00 -0.228420D+00
                21            22            23            24            25 
      1   0.266857D+00  0.519242D+01 -0.115792D+01 -0.196594D+00 -0.893926D+00
      2  -0.228420D+00 -0.115792D+01  0.217727D+01  0.106274D+01 -0.115213D+01
      3  -0.916667D+00 -0.196594D+00  0.106274D+01  0.200991D+01  0.604301D-01
                26            27            28            29            30 
      1  -0.115213D+01  0.604301D-01 -0.131890D+02  0.635054D+01 -0.230643D+00
      2   0.134914D+01  0.357168D+01  0.635054D+01 -0.660617D+01  0.269206D+00
      3   0.357168D+01 -0.222641D+01 -0.230643D+00  0.269206D+00 -0.192577D+01
                31            32            33            34            35 
      1   0.102657D+02  0.141441D+01 -0.749884D+00 -0.165926D+01 -0.101170D+01
      2   0.141441D+01  0.312633D+01 -0.297794D+00 -0.101170D+01 -0.205548D+00
      3  -0.749884D+00 -0.297794D+00  0.418621D+00 -0.314773D+01  0.174488D+01
                36            37            38            39            40 
      1  -0.314773D+01 -0.148349D+01 -0.490265D+01  0.542655D+00 -0.141535D+02
      2   0.174488D+01 -0.490265D+01 -0.668509D+01  0.328457D+00 -0.257146D+01
      3  -0.974821D+00  0.542655D+00  0.328457D+00 -0.131756D+01 -0.440275D+00
                41            42            43            44            45 
      1  -0.257146D+01 -0.440275D+00  0.303450D+01 -0.175186D+00 -0.204571D+01
      2  -0.649117D+01 -0.275774D+00 -0.175186D+00 -0.633183D+00 -0.280484D+01
      3  -0.275774D+00 -0.851995D+00 -0.204571D+01 -0.280484D+01  0.487106D+00
                46            47            48            49            50 
      1  -0.351154D+01  0.438384D+01 -0.311799D+00 -0.432715D+01  0.675535D+00
      2   0.438384D+01  0.239477D+01  0.321195D+00  0.675535D+00 -0.139654D+01
      3  -0.311799D+00  0.321195D+00 -0.568422D+00  0.522959D-02 -0.957699D+00
                51            52            53            54            55 
      1   0.522959D-02  0.581746D+00  0.545685D+00  0.139821D+01  0.273820D+01
      2  -0.957699D+00  0.545685D+00 -0.141815D+01 -0.349287D+01 -0.123346D+01
      3  -0.227407D+01  0.139821D+01 -0.349287D+01  0.213909D+01 -0.378205D+00
                56            57            58            59            60 
      1  -0.123346D+01 -0.378205D+00 -0.319652D+01  0.518356D+01  0.162350D+01
      2   0.360890D+01  0.193048D+01  0.518356D+01 -0.220601D+01  0.219693D+01
      3   0.193048D+01  0.243719D+01  0.162350D+01  0.219693D+01 -0.420516D+01
                61            62            63            64            65 
      1  -0.269292D+01  0.230547D+01  0.384565D+01  0.700308D+01 -0.254562D+01
      2   0.230547D+01  0.678252D+00 -0.552239D+01 -0.254562D+01 -0.210449D+01
      3   0.384565D+01 -0.552239D+01  0.141540D+01 -0.189177D-01 -0.112999D+01
                66            67            68            69            70 
      1  -0.189177D-01 -0.450414D+01 -0.886815D+00 -0.115778D+01 -0.441907D+00
      2  -0.112999D+01 -0.886815D+00  0.235182D+00 -0.155272D+01 -0.357779D+00
      3  -0.263958D+01 -0.115778D+01 -0.155272D+01  0.149917D+01  0.275902D+00
                71            72            73            74            75 
      1  -0.357779D+00  0.275902D+00 -0.578172D+01 -0.786874D+00  0.111536D+01
      2  -0.110504D+01  0.392018D+01 -0.786874D+00  0.169812D+01  0.101913D+01
      3   0.392018D+01  0.715485D+01  0.111536D+01  0.101913D+01  0.517179D+00
                76            77            78            79            80 
      1   0.822835D+00 -0.182404D+01  0.664586D+00  0.107873D+01 -0.103878D+00
      2  -0.182404D+01 -0.314772D+01  0.115374D+01 -0.103878D+00  0.115757D+01
      3   0.664586D+00  0.115374D+01  0.259814D+00 -0.137996D+01 -0.217192D+01
                81            82            83            84            85 
      1  -0.137996D+01  0.302816D+01  0.404811D+00  0.439938D-01  0.215577D+01
      2  -0.217192D+01  0.404811D+00 -0.110192D+01 -0.310336D+00  0.467262D+01
      3  -0.261887D+00  0.439938D-01 -0.310336D+00 -0.692339D+00  0.522606D+00
                86            87            88            89            90 
      1   0.467262D+01  0.522606D+00  0.797999D+00  0.115831D+01  0.139043D+01
      2   0.991452D+01  0.872453D+00  0.115831D+01  0.285082D+01  0.709958D+01
      3   0.872453D+00  0.391127D+01  0.139043D+01  0.709958D+01  0.113903D+01
                91            92            93            94            95 
      1   0.806231D+01  0.459876D+01 -0.374220D+00  0.462009D+01  0.432624D+01
      2   0.459876D+01  0.319283D+01 -0.232018D+00  0.432624D+01  0.448334D+01
      3  -0.374220D+00 -0.232018D+00  0.577449D+00 -0.583048D+00 -0.487056D+00
                96            97            98            99           100 
      1  -0.583048D+00 -0.360282D+00 -0.446620D+00 -0.407059D-01  0.126191D+02
      2  -0.487056D+00 -0.446620D+00 -0.738498D+00  0.166055D-02 -0.304806D+01
      3   0.514437D+00 -0.407059D-01  0.166055D-02 -0.122906D+00  0.131684D+01
               101           102           103           104           105 
      1  -0.304806D+01  0.131684D+01 -0.309194D+01  0.242552D+01 -0.654538D+00
      2   0.138006D+01 -0.342545D+00  0.242552D+01 -0.137874D+01  0.334325D+00
      3  -0.342545D+00  0.837048D+00 -0.654538D+00  0.334325D+00 -0.334683D+00
               106           107           108           109           110 
      1   0.161796D+01 -0.629998D+00  0.624473D-01 -0.475364D+00  0.132749D+01
      2  -0.629998D+00  0.433603D+00 -0.765118D-01  0.132749D+01 -0.101078D+01
      3   0.624473D-01 -0.765118D-01  0.163059D+00 -0.229748D+00  0.312927D+00
               111           112           113           114           115 
      1  -0.229748D+00  0.105334D+01 -0.501591D+00  0.499432D-01 -0.186627D+00
      2   0.312927D+00 -0.501591D+00  0.977152D+01 -0.179498D+01  0.285295D+00
      3  -0.768203D-01  0.499432D-01 -0.179498D+01  0.104976D+01  0.554831D-01
               116           117           118           119           120 
      1   0.285295D+00  0.554831D-01  0.111479D+01 -0.173024D+01  0.375620D+00
      2  -0.198546D+01  0.453139D+00 -0.173024D+01  0.177477D+01 -0.356174D+00
      3   0.453139D+00 -0.212125D+00  0.375620D+00 -0.356174D+00  0.327435D+00
               121           122           123           124           125 
      1  -0.170618D+01  0.255923D+01 -0.505057D+00  0.200278D+00 -0.548668D+00
      2   0.255923D+01 -0.101964D+02  0.180972D+01 -0.548668D+00  0.197425D+01
      3  -0.505057D+00  0.180972D+01 -0.105735D+01  0.193920D+00 -0.473922D+00
               126           127           128           129           130 
      1   0.193920D+00 -0.372645D+00  0.100290D+01 -0.114619D+01  0.263237D+01
      2  -0.473922D+00  0.100290D+01 -0.607051D+00  0.130342D+00 -0.217336D+01
      3   0.198197D+00 -0.114619D+01  0.130342D+00 -0.735828D+00  0.516572D+00
               131           132           133           134           135 
      1  -0.217336D+01  0.516572D+00 -0.185295D+01  0.972881D+00 -0.174443D+01
      2   0.464315D+01 -0.257441D+01  0.972881D+00 -0.307552D+01  0.352130D+01
      3  -0.257441D+01  0.291464D+01 -0.174443D+01  0.352130D+01 -0.528752D+01
               136           137           138           139           140 
      1   0.666176D+01 -0.549993D+01  0.892062D-01 -0.250849D+01 -0.206581D+01
      2  -0.549993D+01 -0.819346D+00 -0.237801D+01 -0.206581D+01 -0.982395D+00
      3   0.892062D-01 -0.237801D+01 -0.155628D+01 -0.249388D+01 -0.127059D+01
               141           142           143           144           145 
      1  -0.249388D+01  0.525926D+01 -0.432504D+01 -0.238693D+01 -0.627407D+00
      2  -0.127059D+01 -0.432504D+01  0.100098D+01  0.393470D+01 -0.933957D-01
      3   0.367003D+01 -0.238693D+01  0.393470D+01 -0.797347D+00 -0.100742D+01
               146           147           148           149           150 
      1  -0.933957D-01 -0.100742D+01 -0.118023D+00 -0.234086D+00 -0.399784D+00
      2   0.603976D+00  0.357124D+00 -0.234086D+00 -0.147106D+01 -0.173939D+01
      3   0.357124D+00  0.131826D+01 -0.399784D+00 -0.173939D+01 -0.247914D+01
               151           152           153           154           155 
      1  -0.143295D+01 -0.300355D+00 -0.187676D+01 -0.124811D+02  0.145862D+01
      2  -0.300355D+00 -0.170064D+01 -0.204127D+01  0.145862D+01 -0.116809D+01
      3  -0.187676D+01 -0.204127D+01 -0.936464D+01 -0.119791D+01  0.118035D+00
               156           157           158           159           160 
      1  -0.119791D+01  0.263535D+01 -0.152838D+01  0.393008D+00  0.402233D+00
      2   0.118035D+00 -0.152838D+01  0.868768D+00 -0.132641D-01  0.535602D-01
      3  -0.104198D+01  0.393008D+00 -0.132641D-01  0.429788D-01 -0.134063D+01
               161           162           163           164           165 
      1   0.535602D-01 -0.134063D+01 -0.709222D+00 -0.116086D+01 -0.991809D+00
      2   0.261172D+00 -0.439178D-01 -0.116086D+01  0.250444D+00 -0.130714D+00
      3  -0.439178D-01 -0.610958D+00 -0.991809D+00 -0.130714D+00 -0.353623D+00
               166           167           168           169           170 
      1  -0.176761D+01 -0.199968D+01 -0.515560D+00 -0.284995D+01 -0.149868D+01
      2  -0.199968D+01 -0.810538D+01 -0.307907D+01 -0.149868D+01 -0.633405D+01
      3  -0.515560D+00 -0.307907D+01 -0.216695D+01 -0.981401D+00 -0.489867D+01
               171           172           173           174           175 
      1  -0.981401D+00  0.319032D-01 -0.455045D+00  0.836901D+00 -0.142488D+01
      2  -0.489867D+01 -0.455045D+00  0.741288D+00 -0.323131D+00 -0.159591D+01
      3  -0.436399D+01  0.836901D+00 -0.323131D+00  0.161477D+00  0.302322D+00
               176           177           178           179           180 
      1  -0.159591D+01  0.302322D+00  0.165666D+01  0.849358D+00 -0.703844D+00
      2  -0.665976D+01  0.289280D+01  0.849358D+00  0.453477D+01 -0.431301D+01
      3   0.289280D+01 -0.251607D+01 -0.703844D+00 -0.431301D+01  0.403675D+01
               181           182           183           184           185 
      1  -0.858973D+00  0.226363D-01  0.788561D+00 -0.927431D+00  0.175086D+00
      2   0.226363D-01  0.635416D-01  0.324077D+00  0.175086D+00 -0.165223D+01
      3   0.788561D+00  0.324077D+00 -0.412901D-01  0.918593D+00  0.104422D+01
               186           187           188           189           190 
      1   0.918593D+00  0.105313D+01  0.352549D+00 -0.102529D+01 -0.110460D+02
      2   0.104422D+01  0.352549D+00  0.154572D+01 -0.124865D+01  0.514959D+01
      3  -0.313724D+01 -0.102529D+01 -0.124865D+01  0.558294D+01  0.889748D+00
               191           192           193           194           195 
      1   0.514959D+01  0.889748D+00  0.397840D+01 -0.291915D+01 -0.957618D-01
      2  -0.337309D+01 -0.484027D+00 -0.291915D+01  0.302474D+01  0.430133D+00
      3  -0.484027D+00 -0.126523D+01 -0.957618D-01  0.430133D+00  0.279185D+00
               196           197           198           199           200 
      1  -0.189324D+01  0.108428D+01 -0.907771D+00  0.145738D+01  0.161546D+01
      2   0.108428D+01 -0.892300D+00  0.224967D+00  0.161546D+01  0.267184D+01
      3  -0.907771D+00  0.224967D+00 -0.150153D+00  0.461148D+00  0.146330D+01
               201           202           203           204           205 
      1   0.461148D+00  0.181669D+01  0.113283D+01  0.601506D+00  0.286515D-01
      2   0.146330D+01  0.113283D+01  0.556632D+01  0.201927D+01  0.708141D+00
      3   0.145880D+01  0.601506D+00  0.201927D+01  0.126631D+01  0.574669D+00
               206           207 
      1   0.708141D+00  0.574669D+00
      2   0.136695D+01  0.103106D+01
      3   0.103106D+01  0.140987D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.803195D+00 -0.113793D+01 -0.454531D+01 -0.183109D+01  0.106990D+01
      2  -0.166465D+01 -0.713875D+00  0.595777D+01  0.279590D+01  0.280985D+01
      3  -0.409405D+01 -0.140075D+02  0.151633D+01  0.721190D+01 -0.651071D+00
                 6             7             8             9            10 
      1  -0.523441D-01 -0.853769D+01  0.603379D+01 -0.211893D+01 -0.526671D+00
      2   0.757694D+01  0.195940D+01  0.115518D+02 -0.301737D+01  0.566366D+00
      3  -0.256308D+01 -0.195957D+01 -0.357538D+01 -0.443070D+01  0.416278D+01
                11            12            13            14            15 
      1  -0.173777D+00  0.251551D+01 -0.136189D+00  0.206672D+01  0.225795D+01
      2   0.113707D-01  0.905793D+01  0.389060D+01 -0.153392D+01 -0.402834D+01
      3  -0.120053D+02  0.419160D+00  0.123029D+02 -0.498001D+00  0.315913D+01
                16            17            18            19            20 
      1   0.562180D+01  0.110406D+02 -0.200908D+01  0.492122D+00  0.121613D+01
      2   0.904067D+01 -0.672628D+01  0.409314D+01  0.310396D+01 -0.346176D+01
      3  -0.292807D+01  0.228780D+01  0.195003D+01  0.523116D+01 -0.529804D+01
                21            22            23            24            25 
      1   0.354761D+01  0.170949D+00 -0.610387D+00 -0.377758D+01  0.271450D+01
      2  -0.240992D+01 -0.195352D+01 -0.336701D+00  0.364413D+01 -0.145422D+02
      3   0.274530D+01  0.487736D+01 -0.930710D+01 -0.420652D+00  0.319259D+01
                26            27            28            29            30 
      1   0.773671D+00  0.151056D+01 -0.796368D+00 -0.595626D+00  0.171519D+01
      2   0.516059D+01 -0.395766D+01 -0.122573D+01  0.270619D+01 -0.230635D+01
      3  -0.178719D+01 -0.774739D+01 -0.131778D+01  0.124485D+02 -0.121862D+01
                31            32            33            34            35 
      1  -0.570837D+00  0.231646D+01 -0.646872D+00  0.220663D+01  0.952789D+01
      2   0.253136D+01 -0.103473D+01  0.203720D-01 -0.155163D+02  0.180646D+01
      3   0.132917D+02 -0.125047D+02 -0.248511D+01  0.154175D+01  0.310916D+01
                36            37            38            39            40 
      1  -0.733739D+00  0.132025D+01 -0.646269D+00 -0.798625D+00 -0.186170D+01
      2  -0.906772D+00  0.112406D+01  0.791423D+00 -0.175165D+01 -0.298313D+01
      3  -0.212129D+01 -0.687332D+01  0.765253D+01 -0.322477D+01  0.116806D+02
                41            42            43            44            45 
      1  -0.223048D+00 -0.680103D+00 -0.328600D+01  0.786559D+01 -0.672568D+00
      2   0.374776D+01 -0.572937D+00 -0.145164D+02 -0.719431D+00 -0.878138D+00
      3   0.191113D+02  0.124813D+01  0.550371D+00 -0.279411D+01  0.358504D+01
                46            47            48            49            50 
      1  -0.267288D-01  0.703966D+00 -0.196866D+01  0.139051D+01 -0.698076D+00
      2  -0.817941D+00 -0.176343D+01 -0.154914D+01 -0.234481D+01 -0.218420D+01
      3  -0.124188D+01 -0.121930D+02  0.201769D+01 -0.468183D+00  0.627280D+01
                51            52            53            54            55 
      1  -0.356103D+01  0.142595D+01  0.125441D+01  0.734378D+00  0.953870D+00
      2  -0.580775D+01 -0.108073D+02 -0.925465D+01  0.360277D+01 -0.239457D+00
      3   0.105758D+01  0.150156D+01  0.100271D+01  0.740874D+01  0.407038D+01
                56            57            58            59            60 
      1  -0.368932D+01 -0.364323D+01 -0.207968D+01 -0.412479D+01  0.164703D+01
      2  -0.199331D+01  0.152995D+00 -0.431580D+01  0.349629D+00  0.706886D+01
      3  -0.130685D+01  0.251895D+01  0.131502D+02  0.674371D+01  0.758489D+01
                61            62            63            64            65 
      1  -0.788568D+01  0.101579D+02 -0.107536D+00  0.314028D+01  0.209768D+01
      2  -0.123702D+02  0.108520D+02 -0.102084D+00  0.897868D+01 -0.201826D+01
      3  -0.938333D-01  0.754508D+01 -0.579200D+01 -0.120961D+02 -0.813672D+01
                66            67            68            69            70 
      1   0.171598D+01 -0.842214D+00  0.301895D+01  0.216835D+01  0.253742D+01
      2   0.722633D+01 -0.231894D+01  0.210126D+01 -0.634322D+01 -0.286041D+01
      3  -0.374194D+01 -0.650881D+01  0.268591D+01 -0.556188D+01  0.631815D+00
                71            72            73            74            75 
      1   0.994087D+00 -0.225003D+01  0.538875D+00  0.122769D+01  0.952125D+00
      2  -0.115066D+02 -0.183335D+02  0.174837D+01 -0.103421D+01  0.645330D+01
      3  -0.314999D+01  0.865511D+01  0.142570D+02 -0.632611D+01  0.108679D+01
                76            77            78            79            80 
      1  -0.901887D+00  0.164587D+01 -0.824059D+01 -0.487311D+01  0.214315D+01
      2   0.148345D+00 -0.417138D+01 -0.596090D+00 -0.350009D+01  0.591107D+01
      3   0.422278D+01 -0.548152D+01  0.537649D+01 -0.219441D+01  0.791619D+01
                81            82            83            84            85 
      1   0.392323D+01  0.180721D+00  0.376098D+00 -0.398057D+01  0.170510D+01
      2  -0.565143D+00 -0.285096D+01  0.508474D+00 -0.264595D+01  0.376801D+00
      3  -0.269616D+01 -0.620521D+01 -0.203053D+00 -0.116313D+01  0.769585D+01
                86            87            88            89            90 
      1   0.250614D+01  0.103105D+02  0.739818D+01  0.243161D+02  0.207618D+01
      2  -0.404302D+00 -0.788336D+00 -0.616103D+01 -0.554333D+01 -0.400913D+00
      3  -0.710771D+01 -0.824144D+00 -0.395645D+01 -0.309311D+01  0.379653D+01
                91            92            93            94            95 
      1  -0.223707D+00 -0.387901D+00 -0.227243D+01  0.323920D+00 -0.952072D-01
      2   0.468272D+00  0.262462D+00  0.393869D+01 -0.974166D+00 -0.838036D+00
      3  -0.279070D+01 -0.628141D+01  0.997351D-01 -0.542669D+01 -0.936395D+01
                96            97            98            99           100 
      1  -0.239638D+01  0.129440D+01  0.113236D+01  0.236491D+00  0.254421D+00
      2   0.307337D+01 -0.186013D+01 -0.106986D+01 -0.259346D+00  0.198500D+01
      3   0.742739D+00  0.946893D+00  0.131676D+01  0.760250D-01  0.261595D+01
               101           102           103           104           105 
      1   0.391098D+00  0.144057D+01 -0.851883D-01 -0.164566D+00 -0.919822D+00
      2  -0.556688D+00  0.584192D+01 -0.183077D+01  0.853639D+00 -0.204138D+01
      3  -0.593645D+01  0.347052D+00 -0.515016D+01  0.382581D+01 -0.727552D+00
               106           107           108           109           110 
      1  -0.849237D+00  0.534485D+00  0.196879D+00 -0.314799D+00  0.114731D+00
      2  -0.264994D+01  0.654802D+00  0.581140D+00 -0.738096D+00  0.680747D+00
      3   0.917739D+00 -0.120639D+01  0.160016D+00 -0.459570D+01  0.365814D+01
               111           112           113           114           115 
      1   0.627922D+00  0.401389D+00 -0.936206D+00 -0.457296D+01 -0.262885D+00
      2   0.488320D-01  0.104264D+01 -0.261016D+01  0.886201D+00 -0.143613D+01
      3  -0.651471D+00  0.632541D+01 -0.156664D+02  0.293630D+01 -0.137626D+01
               116           117           118           119           120 
      1   0.215218D+01  0.524125D+00  0.751621D-02 -0.181352D+00  0.105446D+01
      2   0.372168D+00  0.414762D-01  0.464327D+00 -0.291371D+00  0.878835D+00
      3   0.328908D+01 -0.245692D+00  0.181292D+01 -0.962272D+00  0.192004D+00
               121           122           123           124           125 
      1  -0.332609D+00 -0.233518D+00 -0.467596D+01 -0.481995D-01  0.183106D+01
      2  -0.147221D+00  0.341854D+01 -0.252913D+01 -0.124890D+01  0.166952D-01
      3   0.139059D+01  0.172710D+02 -0.296668D+01 -0.182814D+00 -0.344691D+01
               126           127           128           129           130 
      1   0.656741D+00  0.979405D+00  0.387598D+00  0.102457D+01 -0.272073D+00
      2   0.281203D+00  0.157660D+01 -0.776558D-01  0.142034D+01  0.916218D+00
      3   0.618624D-01  0.234314D+01 -0.231006D+01 -0.125667D+01  0.208657D+01
               131           132           133           134           135 
      1  -0.908453D-01 -0.424936D+01  0.243324D+01 -0.140718D+00  0.504768D+01
      2   0.270412D+01 -0.441270D+01 -0.514058D+00 -0.467057D+01  0.686898D+01
      3   0.551306D+01 -0.416138D+01 -0.211948D+01 -0.561966D+01  0.484822D+01
               136           137           138           139           140 
      1  -0.674030D+01  0.294135D+01  0.837567D+00  0.594635D+01 -0.586301D+00
      2  -0.757490D+01  0.119587D+02  0.620143D+01  0.110966D+02  0.291452D+01
      3   0.239743D+01 -0.178050D+02 -0.525960D+01 -0.102587D+02 -0.803570D+01
               141           142           143           144           145 
      1  -0.137068D+02  0.112391D+01 -0.836684D+01  0.551295D+01  0.327122D-01
      2  -0.488935D+01  0.321899D+01 -0.581938D+01  0.317024D+01  0.245831D+01
      3  -0.927053D+01 -0.210456D+01 -0.992417D+01  0.461381D+01  0.866239D+00
               146           147           148           149           150 
      1  -0.180492D+01  0.155944D+00 -0.261930D+00  0.267951D+01  0.486903D-01
      2  -0.444114D+00 -0.326800D+01 -0.735089D+00  0.373581D+01  0.519618D+01
      3   0.197816D+01  0.655438D+00  0.288501D+01 -0.378332D+01 -0.359864D+01
               151           152           153           154           155 
      1   0.487906D-01  0.556519D+01  0.735025D+00 -0.112128D+01  0.148694D+01
      2  -0.109282D+01  0.463926D+01  0.209054D+02 -0.794788D+01  0.937737D+00
      3   0.600737D+00 -0.521756D+01 -0.313195D+01  0.489053D+01 -0.767208D+01
               156           157           158           159           160 
      1   0.234789D+00  0.129825D+01 -0.112580D+01 -0.910328D+00 -0.426891D+00
      2   0.524285D+01  0.137051D+01 -0.107418D+01 -0.434853D+00  0.263222D+01
      3   0.435433D+00 -0.293878D+01  0.350971D+01  0.519963D+00  0.691413D+00
               161           162           163           164           165 
      1   0.477024D+00  0.455894D+00 -0.283663D+01  0.133268D-01 -0.744976D+00
      2   0.365741D+00  0.399866D+00 -0.490199D+00 -0.237754D+00  0.178098D+01
      3   0.143564D+01 -0.178623D+00  0.235444D+01  0.149755D+01  0.303399D+01
               166           167           168           169           170 
      1  -0.196660D+01 -0.620416D+01 -0.786092D+01 -0.317852D+01 -0.103358D+02
      2   0.806713D-02  0.126321D+01  0.132363D+01 -0.261667D+00  0.262908D+01
      3   0.389832D+01 -0.259864D+01 -0.144692D+01  0.810459D+01 -0.748739D+00
               171           172           173           174           175 
      1  -0.116219D+02  0.178680D+01 -0.229543D+00  0.552865D+00  0.126420D+01
      2   0.180985D+01  0.203037D-01  0.303800D+00  0.526011D+00  0.550885D+00
      3  -0.238976D+01 -0.647126D+00 -0.154711D+01 -0.223252D+01  0.308108D+01
               176           177           178           179           180 
      1   0.514177D+01 -0.731406D+01 -0.223871D+01 -0.828372D+01  0.100330D+02
      2  -0.254308D+01  0.204855D+01 -0.126501D+01  0.292768D+01 -0.308631D+01
      3  -0.205770D+01  0.254789D+01 -0.471413D+01  0.304342D+01 -0.329405D+01
               181           182           183           184           185 
      1  -0.143102D+01 -0.366236D+00  0.696022D+00 -0.132951D+01 -0.704263D+01
      2  -0.585540D+00 -0.547569D+00 -0.379350D-01  0.582906D-01 -0.233653D+01
      3  -0.128448D+01 -0.312500D+00  0.177792D+01 -0.162308D+00 -0.437573D+01
               186           187           188           189           190 
      1   0.654970D+01  0.204040D+01  0.717780D+01 -0.121977D+02  0.205052D+01
      2   0.576690D+01 -0.178146D+01  0.273022D+01 -0.997014D+01  0.736388D+01
      3   0.374885D+01  0.241121D+01  0.451158D+01 -0.489459D+01 -0.130142D+02
               191           192           193           194           195 
      1  -0.214786D+01  0.372785D+01 -0.195013D+01  0.170997D+01 -0.123622D+01
      2  -0.287861D+01  0.554980D+01 -0.313450D+01  0.975021D+00 -0.175305D+01
      3  -0.102985D+00  0.375964D+00  0.376314D+01  0.163482D+01  0.867873D+00
               196           197           198           199           200 
      1   0.200372D+01  0.295892D+00  0.427004D+00  0.147681D+01  0.404133D+00
      2   0.125235D+01 -0.481174D+00  0.111952D+01 -0.434519D+01 -0.404538D+01
      3  -0.107939D+01  0.596638D+00 -0.177211D+01  0.105066D+02  0.824538D+01
               201           202           203           204           205 
      1  -0.284516D+01  0.543396D+00  0.188328D+01 -0.254979D+01 -0.610052D+00
      2  -0.194016D+01 -0.404825D+01 -0.580615D+01 -0.240798D+01 -0.234036D+01
      3   0.342900D+01  0.967094D+01  0.135227D+02  0.561550D+01  0.161829D+01
               206           207 
      1   0.780232D+00 -0.226068D+01
      2  -0.248564D+01 -0.277489D+01
      3   0.450917D+01  0.353892D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106763D+01 -0.196824D+02  0.310405D+01  0.338367D+02 -0.109115D+01
      2  -0.354006D+01  0.131978D+02  0.215826D+01 -0.324954D+02 -0.305334D+01
      3   0.460770D+01  0.648456D+01 -0.526232D+01 -0.134131D+01  0.414449D+01
      4  -0.186856D+02  0.160008D+02 -0.421654D+01 -0.267027D+01 -0.179850D+02
      5  -0.273058D+01 -0.249650D+01  0.129723D+02  0.760741D+01  0.720513D+01
      6  -0.239507D+01 -0.154089D+01  0.102541D+02  0.724482D+01  0.299554D+01
                 6             7             8             9            10 
      1   0.141752D+01 -0.894788D+01 -0.158635D+01  0.108256D+02 -0.564240D+01
      2  -0.318353D+01  0.103803D+02  0.433219D+01 -0.146251D+02  0.182407D+01
      3   0.176601D+01 -0.143241D+01 -0.274584D+01  0.379942D+01  0.381833D+01
      4   0.105055D+02  0.328895D+01  0.964840D+01  0.153286D+02  0.104735D+02
      5   0.164042D+02  0.306044D+02  0.167171D+02 -0.718361D+01 -0.659068D+01
      6   0.138861D+01  0.929785D+01  0.110314D+02  0.251013D+01 -0.102408D+00
                11            12            13            14            15 
      1   0.781546D+01 -0.699580D+01 -0.229960D+02 -0.206120D+02  0.646063D+01
      2  -0.423848D+01  0.189713D+01  0.211009D+02  0.198047D+02 -0.798779D+01
      3  -0.357698D+01  0.509867D+01  0.189511D+01  0.807341D+00  0.152716D+01
      4   0.248655D+02  0.831530D+00 -0.211322D+02  0.149090D+02 -0.843539D+01
      5   0.186717D+01  0.196664D+02  0.115652D+02 -0.449339D+01 -0.928023D+01
      6  -0.199716D+00 -0.563829D+01 -0.581053D+01 -0.228823D+01 -0.453250D+01
                16            17            18            19            20 
      1  -0.330144D+01  0.749101D+01  0.173065D+02  0.103639D+02 -0.261150D+01
      2  -0.238973D+01 -0.485174D+01 -0.208089D+02 -0.675005D+01 -0.452875D+00
      3   0.569117D+01 -0.263927D+01  0.350243D+01 -0.361388D+01  0.306438D+01
      4   0.125797D+02 -0.495148D+01 -0.584265D+01  0.549836D+01 -0.264966D+02
      5   0.382815D+02 -0.881147D+01  0.817731D+01  0.436795D+01  0.186400D+01
      6  -0.407780D+01  0.615569D+01  0.285364D+01  0.172649D+01 -0.112732D+01
                21            22            23            24            25 
      1   0.117923D+01  0.682324D+01  0.102745D+02 -0.517902D+01  0.969958D+00
      2  -0.279327D+01 -0.230484D+00 -0.169382D+02  0.794692D+01 -0.177699D+01
      3   0.161404D+01 -0.659276D+01  0.666372D+01 -0.276790D+01  0.807033D+00
      4   0.335213D+01  0.202233D+02  0.100638D+02  0.402144D+00 -0.156518D+01
      5  -0.662261D+01 -0.149677D+01  0.542341D-01  0.548443D+01  0.323650D+01
      6  -0.660696D+01 -0.231290D+01  0.112084D+02  0.675098D+01  0.110593D+01
                26            27            28            29            30 
      1  -0.431910D+01 -0.138190D+02 -0.352332D+02  0.150680D+02 -0.196852D+01
      2   0.991861D+01  0.242747D-02  0.212033D+02 -0.799767D+01 -0.169918D+00
      3  -0.559951D+01  0.138166D+02  0.140299D+02 -0.707029D+01  0.213843D+01
      4  -0.299033D+01  0.121094D+02 -0.126595D+02  0.112463D+02 -0.106649D+00
      5   0.112936D+02 -0.837288D+01 -0.352437D+01  0.134313D+01 -0.262034D+01
      6   0.136266D+02 -0.533086D+01  0.312024D+01  0.118110D+00 -0.244873D+01
                31            32            33            34            35 
      1   0.190318D+02 -0.425356D-01  0.103997D+01 -0.843529D+01  0.272684D+01
      2  -0.975207D+01  0.354862D+01 -0.304395D+01 -0.260268D+00 -0.986667D+00
      3  -0.927974D+01 -0.350608D+01  0.200398D+01  0.869556D+01 -0.174018D+01
      4  -0.118729D+01  0.339643D+01 -0.797342D+00  0.496173D+01 -0.248758D+01
      5   0.273903D+01 -0.384757D+00 -0.503556D+00  0.176920D+01  0.227617D+00
      6  -0.618872D+01 -0.251052D+01  0.297349D+01 -0.935915D+00  0.849812D+01
                36            37            38            39            40 
      1  -0.115625D+02 -0.154756D+02 -0.286708D+02  0.249832D+01 -0.214637D+02
      2   0.420668D+00  0.137024D+02  0.205987D+02  0.640932D+00  0.102643D+02
      3   0.111418D+02  0.177322D+01  0.807202D+01 -0.313925D+01  0.111994D+02
      4  -0.278480D+01 -0.405763D+01 -0.538472D+00 -0.585735D+00 -0.249627D+01
      5  -0.954700D+00  0.300067D+01  0.163884D+01 -0.160420D+01  0.451800D+00
      6   0.268287D+00 -0.237220D+01 -0.136451D+00  0.100209D+01  0.826555D+01
                41            42            43            44            45 
      1  -0.135861D+02  0.260355D+00  0.206951D+01 -0.177459D+01 -0.151927D+02
      2   0.144333D+02 -0.862994D+00  0.205426D+01  0.197213D+01  0.456086D+01
      3  -0.847205D+00  0.602639D+00 -0.412377D+01 -0.197539D+00  0.106318D+02
      4  -0.389710D+01  0.264714D+01  0.141016D+01  0.177352D+01 -0.186198D+01
      5   0.305605D+01 -0.351906D+00  0.242800D+01 -0.297830D+01 -0.179590D+00
      6  -0.625466D+00  0.122469D+01 -0.117119D+01  0.118725D+02  0.162050D+01
                46            47            48            49            50 
      1   0.102518D+02  0.182808D+02  0.276550D+00 -0.218374D+02  0.146150D+02
      2  -0.105517D+02 -0.123982D+02  0.856986D+00  0.184460D+02 -0.220763D+02
      3   0.299865D+00 -0.588261D+01 -0.113354D+01  0.339136D+01  0.746126D+01
      4   0.625042D+01 -0.192517D+02  0.407745D+01  0.138392D+02 -0.219953D+01
      5  -0.349746D+01  0.177064D+01 -0.552471D+01 -0.722679D+00 -0.472575D+01
      6   0.441562D+01 -0.150100D+01  0.315541D+01 -0.280552D+01  0.111730D+02
                51            52            53            54            55 
      1  -0.435360D+01  0.396689D+01 -0.215822D+01 -0.686882D+01  0.244594D+02
      2   0.777106D+01 -0.481559D+01  0.934682D+01 -0.402419D+01 -0.119354D+02
      3  -0.341746D+01  0.848704D+00 -0.718860D+01  0.108930D+02 -0.125240D+02
      4  -0.446789D+01  0.852290D+00 -0.782656D+01 -0.153706D+02 -0.269850D+01
      5  -0.109965D+02  0.829118D+01 -0.158318D+02  0.690567D+01  0.221604D+01
      6   0.721429D+01 -0.499277D+01  0.130969D+02 -0.328048D+01 -0.425609D+01
                56            57            58            59            60 
      1  -0.160781D+02 -0.448523D+01 -0.218973D+02  0.542767D+01 -0.932240D+01
      2   0.124552D+02  0.525850D+01  0.141083D+02  0.109775D+01  0.820840D+01
      3   0.362284D+01 -0.773274D+00  0.778897D+01 -0.652542D+01  0.111400D+01
      4  -0.891060D+01 -0.487654D+01 -0.158816D+02  0.978461D+01 -0.579926D+01
      5  -0.692829D+01 -0.848521D+01 -0.100510D+02 -0.737332D+01  0.146904D+02
      6   0.454394D+01  0.551072D+01  0.901697D+00  0.795116D+01 -0.183798D+02
                61            62            63            64            65 
      1  -0.816065D+00 -0.810713D+01  0.119365D+02 -0.505972D+02  0.152148D+02
      2   0.541489D+01  0.242303D+00 -0.108949D+02  0.256945D+02 -0.104382D+02
      3  -0.459883D+01  0.786483D+01 -0.104158D+01  0.249026D+02 -0.477659D+01
      4  -0.142988D+02  0.341317D+01  0.225175D+02  0.161934D+02  0.423191D+01
      5  -0.179780D+02  0.213271D+02 -0.252402D+01 -0.762242D+01  0.658218D+01
      6   0.186349D+02 -0.258409D+02  0.101766D+02  0.260999D+01  0.178209D+01
                66            67            68            69            70 
      1  -0.574420D+01  0.215623D+02  0.852163D+01  0.993079D+01  0.189741D+01
      2  -0.254599D+01 -0.132190D+02 -0.120516D+02 -0.494045D+00  0.188876D+01
      3   0.829020D+01 -0.834333D+01  0.352996D+01 -0.943675D+01 -0.378616D+01
      4   0.437647D+01 -0.202903D+01 -0.404514D-01  0.713744D+01  0.609723D+01
      5   0.840752D+01  0.113664D+02  0.862708D+01 -0.430172D+01 -0.295905D+01
      6   0.535554D+00  0.274363D+01 -0.978801D+00 -0.516549D+01 -0.310278D+01
                71            72            73            74            75 
      1   0.288845D+01  0.147798D+02  0.315774D+02  0.105606D+02  0.113655D+01
      2   0.101799D+02  0.173497D+02 -0.174257D+02 -0.806141D+01 -0.195316D+01
      3  -0.130684D+02 -0.321295D+02 -0.141517D+02 -0.249915D+01  0.816608D+00
      4   0.115019D+00 -0.147616D+02  0.136027D+02  0.112316D+02 -0.539610D+01
      5  -0.142909D+02 -0.290645D+02 -0.591740D+01 -0.330740D+01  0.996324D+01
      6  -0.746640D+00 -0.118088D+02 -0.954425D+00 -0.870633D+01 -0.523057D+01
                76            77            78            79            80 
      1  -0.891553D+01 -0.742699D+01  0.802518D-01 -0.711122D+01 -0.104017D+01
      2   0.100818D+02  0.159284D+02  0.252392D+01  0.449462D+01 -0.319401D+01
      3  -0.116627D+01 -0.850143D+01 -0.260417D+01  0.261659D+01  0.423418D+01
      4   0.128413D+02  0.102028D+02 -0.660262D+01 -0.619746D+01 -0.626216D+01
      5  -0.549641D+01 -0.585342D+01 -0.357393D+01  0.110654D+02  0.787920D+01
      6  -0.544563D+00 -0.236234D+01  0.112416D+02  0.397306D+01  0.111476D+02
                81            82            83            84            85 
      1  -0.819083D+01 -0.129195D+02 -0.453971D+01 -0.452292D+00  0.233220D+02
      2  -0.486360D+01  0.985472D+01  0.703579D+01  0.293725D+01 -0.206297D+02
      3   0.130544D+02  0.306477D+01 -0.249608D+01 -0.248496D+01 -0.269223D+01
      4   0.959223D+01  0.314646D+00 -0.339699D+01  0.253310D+01 -0.109182D+01
      5  -0.156860D+01 -0.187017D+01  0.119853D+01 -0.827461D+01 -0.288445D+01
      6  -0.196036D+01 -0.865577D+00  0.154022D+01  0.939149D+01 -0.406682D+01
                86            87            88            89            90 
      1   0.452865D+02  0.227301D+01  0.650096D+01  0.828252D+01  0.343175D+02
      2  -0.425149D+02 -0.293813D+01 -0.654363D+01 -0.116089D+02 -0.325244D+02
      3  -0.277162D+01  0.665122D+00  0.426738D-01  0.332638D+01 -0.179309D+01
      4  -0.792906D+01 -0.292033D+01 -0.350803D+01 -0.514471D+01 -0.931289D+01
      5  -0.389718D+01 -0.433679D+01 -0.335930D+01 -0.112985D+02 -0.184316D+01
      6  -0.565486D+01 -0.291517D+02 -0.939829D+01 -0.488833D+02 -0.497881D+01
                91            92            93            94            95 
      1   0.497816D+02  0.247799D+02 -0.230074D+01  0.206220D+02  0.148374D+02
      2  -0.194044D+02 -0.672220D+01  0.102994D+01 -0.123649D+01  0.361711D+01
      3  -0.303771D+02 -0.180577D+02  0.127080D+01 -0.193855D+02 -0.184545D+02
      4   0.469159D+02  0.329192D+02 -0.222321D+01  0.394405D+02  0.380457D+02
      5  -0.535975D+01 -0.274972D+01  0.700206D+01 -0.550140D+01 -0.476700D+01
      6  -0.822217D+00 -0.701082D+00  0.280190D+01 -0.245066D+01 -0.208508D+01
                96            97            98            99           100 
      1  -0.192164D+01 -0.731490D+00 -0.628377D+00  0.336882D+00  0.968516D+02
      2   0.900296D+00 -0.857569D+00 -0.106769D+01  0.616658D+00 -0.533195D+02
      3   0.102134D+01  0.158906D+01  0.169607D+01 -0.953540D+00 -0.435320D+02
      4  -0.394409D+01 -0.429880D+01 -0.403117D+01  0.199819D+01 -0.331000D+02
      5   0.464931D+01  0.157376D+01  0.892484D+00 -0.607963D+00  0.125677D+02
      6   0.411964D+01  0.841312D+00  0.159388D+01 -0.103912D+01 -0.579951D+00
               101           102           103           104           105 
      1  -0.219802D+02  0.880113D+01 -0.201600D+02  0.139385D+02 -0.336566D+01
      2   0.109406D+02 -0.576757D+01  0.854971D+01 -0.556286D+01  0.227825D+01
      3   0.110396D+02 -0.303356D+01  0.116103D+02 -0.837564D+01  0.108740D+01
      4   0.159652D+02 -0.322095D+01  0.236317D+02 -0.128091D+02  0.293728D+01
      5  -0.296236D+01  0.100517D+02 -0.560322D+01  0.297933D+01 -0.308709D+01
      6   0.716868D+00 -0.157667D+01  0.164556D+01 -0.714989D+00  0.237664D+01
               106           107           108           109           110 
      1   0.103284D+02 -0.326350D+01  0.244010D+01 -0.404114D+01  0.641437D+01
      2  -0.541070D+01  0.143068D+01 -0.119617D+01  0.549988D+01 -0.584213D+01
      3  -0.491771D+01  0.183281D+01 -0.124394D+01 -0.145874D+01 -0.572236D+00
      4  -0.653270D+01  0.307873D+01 -0.192688D+01  0.866369D+00  0.726683D+01
      5   0.260617D+01 -0.747155D+00  0.194715D+01 -0.343515D+00 -0.670622D+00
      6  -0.571566D+00  0.994714D+00 -0.826788D+00 -0.157358D+01  0.223055D+01
               111           112           113           114           115 
      1  -0.186495D+01  0.358496D+01 -0.380864D+02  0.739746D+01 -0.125088D+01
      2   0.128216D+01 -0.276305D+01  0.528035D+02 -0.773793D+01  0.140964D+01
      3   0.582791D+00 -0.821906D+00 -0.147171D+02  0.340471D+00 -0.158768D+00
      4  -0.842431D+00  0.527888D+01  0.192400D+02 -0.401974D+01 -0.882007D+00
      5   0.153448D+01 -0.766370D+00 -0.474796D+01  0.201599D+01  0.571641D+00
      6  -0.867289D+00  0.233249D+00 -0.140410D+02  0.891544D+01 -0.212339D+00
               116           117           118           119           120 
      1   0.771211D+01 -0.308858D+01  0.139629D+01 -0.310938D+01  0.553538D+00
      2  -0.953671D+01  0.360843D+01  0.354521D+01 -0.284841D+01  0.161323D+00
      3   0.182460D+01 -0.519849D+00 -0.494150D+01  0.595780D+01 -0.714862D+00
      4  -0.305207D+01 -0.197557D+00 -0.110684D+02  0.161672D+02 -0.293077D+01
      5   0.479544D+00 -0.883451D-02  0.184282D+01 -0.263719D+01  0.293037D+01
      6   0.527719D+01 -0.296866D+01 -0.190326D+01  0.192823D+01 -0.180266D+01
               121           122           123           124           125 
      1   0.166970D+01 -0.250540D+02  0.435747D+01  0.178314D+00  0.449229D+01
      2  -0.890952D+01  0.454769D+02 -0.565604D+01  0.882270D+00 -0.756223D+01
      3   0.723982D+01 -0.204230D+02  0.129856D+01 -0.106058D+01  0.306994D+01
      4   0.178537D+02 -0.438088D+02  0.776026D+01 -0.358795D+01  0.899395D+01
      5  -0.295580D+01  0.693076D+01 -0.451723D+01  0.128172D+01 -0.178240D+01
      6   0.308621D+01 -0.116065D+02  0.857435D+01 -0.128278D+01  0.529721D+01
               126           127           128           129           130 
      1  -0.266522D+01  0.926490D+00 -0.142888D+01  0.261478D+01  0.479861D+01
      2   0.354747D+01 -0.680252D+00  0.246515D+00 -0.200989D+01 -0.476124D+01
      3  -0.882251D+00 -0.246238D+00  0.118237D+01 -0.604886D+00 -0.373631D-01
      4  -0.202740D+01 -0.475961D+01  0.773412D+01 -0.386003D+01  0.110806D+02
      5   0.125372D+01  0.491904D+01 -0.305789D+01  0.802212D+01 -0.319486D+01
      6  -0.287980D+01 -0.563202D+01  0.127169D+01 -0.208356D+01  0.438325D+01
               131           132           133           134           135 
      1  -0.148866D+02  0.914561D+01 -0.801088D+00  0.113926D+02 -0.160993D+02
      2   0.150755D+02 -0.804562D+01 -0.740810D+00 -0.516751D+01  0.336899D+00
      3  -0.188942D+00 -0.109999D+01  0.154190D+01 -0.622505D+01  0.157624D+02
      4  -0.156805D+02  0.747890D+01 -0.573573D+01  0.965356D+01 -0.109134D+02
      5   0.783384D+01 -0.959827D+01  0.106658D+02 -0.112503D+02  0.161420D+02
      6  -0.166963D+02  0.181562D+02 -0.824127D+01  0.194421D+02 -0.237755D+02
               136           137           138           139           140 
      1  -0.232787D+02  0.324830D+02  0.826829D+01  0.311434D+02  0.632245D+01
      2  -0.817621D+01 -0.183201D+02 -0.100907D+02 -0.157511D+02 -0.930232D+01
      3   0.314549D+02 -0.141629D+02  0.182238D+01 -0.153924D+02  0.297986D+01
      4   0.431482D+02 -0.187654D+02  0.548017D+01 -0.927618D+01 -0.251697D+01
      5   0.509667D+01  0.316420D+00  0.581271D+01  0.348282D+01  0.666144D+00
      6  -0.320923D+01 -0.113063D+02 -0.711849D+01 -0.105740D+02 -0.615020D+01
               141           142           143           144           145 
      1   0.282735D+01  0.612075D+01  0.262143D+01 -0.294596D+01  0.329452D+01
      2  -0.190983D+02 -0.954614D+01 -0.119529D+02  0.146009D+02 -0.425391D+01
      3   0.162709D+02  0.342539D+01  0.933146D+01 -0.116550D+02  0.959385D+00
      4  -0.383594D+00  0.197063D+02 -0.930843D+01 -0.198941D+02  0.350215D+00
      5  -0.170846D+02  0.120050D+02 -0.198375D+02  0.112970D+01  0.421092D+01
      6   0.764948D+01 -0.158100D+02  0.125939D+02  0.631691D+01  0.134845D+01
               146           147           148           149           150 
      1   0.821766D+00  0.807176D+01  0.456497D+00 -0.668915D+01 -0.664425D+01
      2   0.427531D+00  0.253982D+00 -0.139947D+01  0.152436D+01 -0.208281D+01
      3  -0.124930D+01 -0.832575D+01  0.942977D+00  0.516480D+01  0.872705D+01
      4  -0.104709D+01  0.597711D+00  0.362472D+01  0.619208D+01  0.718710D+01
      5  -0.130236D-01  0.718785D+00  0.354607D+01  0.628584D+01  0.997374D+01
      6  -0.837330D+00 -0.150315D+01  0.155996D+01  0.720600D+01  0.125933D+02
               151           152           153           154           155 
      1   0.416139D+01 -0.419703D+01 -0.178819D+02  0.808426D+02 -0.937278D+01
      2  -0.812439D+01 -0.319452D+01 -0.244145D+02 -0.457630D+02  0.518566D+01
      3   0.396299D+01  0.739155D+01  0.422964D+02 -0.350797D+02  0.418712D+01
      4   0.262299D+01  0.795061D+01  0.907826D+01 -0.884865D+01  0.104714D+02
      5   0.139787D+02  0.823228D+01  0.378613D+02  0.183245D+02 -0.228280D+01
      6   0.257974D+01  0.742416D+01  0.131372D+02 -0.136190D+01  0.125250D+01
               156           157           158           159           160 
      1   0.651657D+01 -0.153852D+02  0.798048D+01 -0.254033D+01 -0.184648D+01
      2  -0.573926D+01  0.860869D+01 -0.293666D+01  0.103579D+01 -0.649635D+00
      3  -0.777308D+00  0.677653D+01 -0.504382D+01  0.150454D+01  0.249611D+01
      4  -0.655729D+00  0.135143D+02 -0.592042D+01  0.587434D+00 -0.502018D+00
      5   0.108204D+02 -0.500969D+01  0.134498D+01 -0.177182D+01  0.114785D+02
      6  -0.365811D+00  0.235026D+01 -0.127191D+01  0.237333D+01 -0.940567D+00
               161           162           163           164           165 
      1  -0.256514D+00  0.598361D+01 -0.838414D+00  0.269194D+01  0.716673D+00
      2  -0.797836D+00 -0.589889D+01  0.185491D+01 -0.238018D+01 -0.152915D+01
      3   0.105435D+01 -0.847180D-01 -0.101650D+01 -0.311758D+00  0.812479D+00
      4  -0.901289D+00 -0.419278D+00  0.333767D+01  0.858234D+01  0.489162D+01
      5  -0.795401D+00  0.356803D+01  0.201279D+01  0.339223D+01  0.617837D+01
      6   0.130380D+01  0.261004D+00  0.689110D+01  0.901195D+00  0.149673D+01
               166           167           168           169           170 
      1  -0.508701D+01 -0.347070D+02 -0.123204D+02 -0.300754D+01 -0.275952D+02
      2   0.690771D+01  0.437071D+02  0.150152D+02  0.372603D+01  0.288226D+02
      3  -0.182070D+01 -0.900008D+01 -0.269481D+01 -0.718491D+00 -0.122747D+01
      4   0.737700D+01  0.117670D+02  0.439157D+01  0.873910D+01  0.902534D+01
      5   0.282199D+01  0.460119D+01  0.351560D+01  0.586314D+01  0.815299D+01
      6   0.392426D+01  0.236023D+02  0.184236D+02  0.753748D+01  0.348972D+02
               171           172           173           174           175 
      1  -0.235868D+02  0.417964D+00  0.386336D+01 -0.330415D+01 -0.505898D+01
      2   0.181403D+02  0.373000D-01 -0.397451D+01  0.209217D+01  0.584346D+01
      3   0.544654D+01 -0.455264D+00  0.111154D+00  0.121198D+01 -0.784478D+00
      4   0.683950D+01  0.866021D+00  0.700799D+01 -0.448544D+01  0.559526D+01
      5   0.628854D+01 -0.103676D+01 -0.269306D+01  0.401689D+01 -0.155606D+01
      6   0.271957D+02 -0.535422D+01  0.257458D+01 -0.140003D+01 -0.252711D+01
               176           177           178           179           180 
      1  -0.289285D+02  0.129774D+02  0.138841D+01  0.208889D+02 -0.219871D+02
      2   0.347657D+02 -0.145111D+02 -0.158070D+01 -0.200972D+02  0.154358D+02
      3  -0.583718D+01  0.153366D+01  0.192287D+00 -0.791745D+00  0.655129D+01
      4   0.841641D+01 -0.330999D+01 -0.592346D+01 -0.556801D+01  0.520020D+01
      5  -0.416987D+01  0.392041D+01  0.414130D+01  0.684945D+01 -0.558037D+01
      6  -0.208677D+02  0.185978D+02  0.576029D+01  0.289771D+02 -0.240178D+02
               181           182           183           184           185 
      1   0.386871D+01 -0.191757D+01 -0.437532D+01  0.821918D+00 -0.743909D+00
      2  -0.343599D+01  0.494043D+00  0.391316D+01 -0.247700D+01 -0.544930D+01
      3  -0.432720D+00  0.142353D+01  0.462162D+00  0.165508D+01  0.619321D+01
      4  -0.281747D+01  0.242060D+01  0.291706D+00 -0.200220D+00  0.767778D+01
      5  -0.491572D+01 -0.154503D+01  0.480953D+01 -0.586692D+01 -0.367878D+01
      6   0.733168D+00  0.116218D+01  0.677027D+00  0.148647D+01 -0.231530D+01
               186           187           188           189           190 
      1   0.205012D+01 -0.386270D+01 -0.805199D+00 -0.802725D+01  0.461257D+02
      2   0.123571D+02  0.610255D+01  0.101727D+02 -0.200328D+02 -0.976858D+01
      3  -0.144072D+02 -0.223986D+01 -0.936754D+01  0.280600D+02 -0.363571D+02
      4  -0.367913D+01  0.115951D+01 -0.580422D+01  0.550849D+01 -0.543824D+02
      5   0.123591D+02  0.868024D+01  0.505915D+01 -0.209376D+02 -0.150820D+02
      6  -0.202686D+01 -0.137942D+01  0.274999D+01  0.755307D+01  0.622779D+01
               191           192           193           194           195 
      1  -0.148333D+02 -0.202351D+00 -0.106181D+02  0.291269D+01 -0.996545D+00
      2  -0.387649D+01  0.213203D+01 -0.478337D+01  0.984521D+01  0.134344D+01
      3   0.187098D+02 -0.192968D+01  0.154015D+02 -0.127579D+02 -0.346893D+00
      4   0.335519D+02  0.339911D+01  0.277247D+02 -0.230877D+02 -0.157638D+01
      5   0.699561D+01  0.100750D+02  0.478449D+01 -0.367293D+01 -0.270649D+01
      6  -0.454443D+01 -0.664120D+01 -0.247118D+01  0.409076D+01  0.377240D+01
               196           197           198           199           200 
      1   0.458353D+01 -0.124881D+01  0.379399D+01 -0.674382D+01 -0.173532D+02
      2   0.166711D+01 -0.143461D+01 -0.260435D+01  0.962828D+01  0.187609D+02
      3  -0.625063D+01  0.268343D+01 -0.118964D+01 -0.288447D+01 -0.140769D+01
      4  -0.796315D+01  0.529628D+01 -0.408558D+01  0.257246D+01  0.259714D+01
      5   0.734595D+01 -0.214912D+01  0.651805D-01  0.268550D+01  0.568095D+00
      6  -0.464789D+01  0.289275D+01 -0.110027D+01  0.430932D+01  0.105787D+02
               201           202           203           204           205 
      1  -0.837211D+01 -0.124620D+02 -0.274981D+02 -0.110361D+02 -0.388934D+01
      2   0.614917D+01  0.109132D+02  0.367284D+02  0.111858D+02  0.283980D+01
      3   0.222294D+01  0.154877D+01 -0.923024D+01 -0.149653D+00  0.104954D+01
      4  -0.237938D+00  0.718005D+01 -0.650865D+01 -0.234519D+01 -0.422748D+00
      5  -0.111243D+01  0.274032D+01 -0.182023D+01 -0.903140D+00  0.166848D+01
      6   0.845834D+01  0.468088D+01  0.181350D+02  0.116485D+02  0.434620D+01
               206           207 
      1  -0.897791D+01 -0.896322D+01
      2   0.757247D+01  0.410910D+01
      3   0.140544D+01  0.485411D+01
      4  -0.620562D+00  0.122624D+01
      5  -0.257761D-01 -0.175898D+01
      6   0.104513D+02  0.826716D+01
 Leave Link  716 at Sun Jul 18 14:10:03 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153240D+03 -0.268783D+01  0.275384D+01
      2  -0.268783D+01  0.133853D+03 -0.380705D+01
      3   0.275384D+01 -0.380705D+01  0.887378D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.225240D+01 -0.590981D+01 -0.120499D+02
      2   0.774706D+01 -0.124078D+02 -0.429521D+01
      3   0.513129D+01 -0.517227D+02  0.937866D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.147466D+03  0.169357D+02  0.397515D+01
      2  -0.762775D+02  0.375810D+01  0.110262D+02
      3  -0.711889D+02 -0.206938D+02 -0.150014D+02
      4   0.542356D+02  0.690638D+02 -0.289470D+02
      5   0.132504D+01 -0.304253D+02 -0.163475D+02
      6  -0.141192D+02  0.705423D+01  0.157442D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.174276D+01  0.209491D+01 -0.394625D+00  0.553495D+01 -0.114578D+01
      2   0.209491D+01  0.221003D+01 -0.609489D+00 -0.114578D+01  0.252902D+01
      3  -0.394625D+00 -0.609489D+00  0.254253D+01  0.967267D+00  0.109705D+01
                 6             7             8             9            10 
      1   0.967267D+00 -0.158040D+01  0.873289D+00  0.438662D+01  0.549477D+01
      2   0.109705D+01  0.873289D+00  0.758013D+00  0.302321D+01 -0.135946D+01
      3   0.211984D+01  0.438662D+01  0.302321D+01 -0.836242D+00 -0.445409D+00
                11            12            13            14            15 
      1  -0.135946D+01 -0.445409D+00 -0.298212D+01 -0.196105D+01  0.122702D+01
      2   0.295417D+01 -0.494308D-01 -0.196105D+01 -0.265278D+01 -0.870627D+00
      3  -0.494308D-01  0.295401D+01  0.122702D+01 -0.870627D+00 -0.933315D+00
                16            17            18            19            20 
      1   0.133247D+00  0.136120D+01  0.533742D+01  0.582194D+00 -0.559396D+01
      2   0.136120D+01  0.177145D+00 -0.143841D+01 -0.559396D+01 -0.687258D-01
      3   0.533742D+01 -0.143841D+01  0.148270D+01  0.266857D+00 -0.228420D+00
                21            22            23            24            25 
      1   0.266857D+00  0.519242D+01 -0.115792D+01 -0.196594D+00 -0.893926D+00
      2  -0.228420D+00 -0.115792D+01  0.217727D+01  0.106274D+01 -0.115213D+01
      3  -0.916667D+00 -0.196594D+00  0.106274D+01  0.200991D+01  0.604301D-01
                26            27            28            29            30 
      1  -0.115213D+01  0.604301D-01 -0.131890D+02  0.635054D+01 -0.230643D+00
      2   0.134914D+01  0.357168D+01  0.635054D+01 -0.660617D+01  0.269206D+00
      3   0.357168D+01 -0.222641D+01 -0.230643D+00  0.269206D+00 -0.192577D+01
                31            32            33            34            35 
      1   0.102657D+02  0.141441D+01 -0.749884D+00 -0.165926D+01 -0.101170D+01
      2   0.141441D+01  0.312633D+01 -0.297794D+00 -0.101170D+01 -0.205548D+00
      3  -0.749884D+00 -0.297794D+00  0.418621D+00 -0.314773D+01  0.174488D+01
                36            37            38            39            40 
      1  -0.314773D+01 -0.148349D+01 -0.490265D+01  0.542655D+00 -0.141535D+02
      2   0.174488D+01 -0.490265D+01 -0.668509D+01  0.328457D+00 -0.257146D+01
      3  -0.974821D+00  0.542655D+00  0.328457D+00 -0.131756D+01 -0.440275D+00
                41            42            43            44            45 
      1  -0.257146D+01 -0.440275D+00  0.303450D+01 -0.175186D+00 -0.204571D+01
      2  -0.649117D+01 -0.275774D+00 -0.175186D+00 -0.633183D+00 -0.280484D+01
      3  -0.275774D+00 -0.851995D+00 -0.204571D+01 -0.280484D+01  0.487106D+00
                46            47            48            49            50 
      1  -0.351154D+01  0.438384D+01 -0.311799D+00 -0.432715D+01  0.675535D+00
      2   0.438384D+01  0.239477D+01  0.321195D+00  0.675535D+00 -0.139654D+01
      3  -0.311799D+00  0.321195D+00 -0.568422D+00  0.522959D-02 -0.957699D+00
                51            52            53            54            55 
      1   0.522959D-02  0.581746D+00  0.545685D+00  0.139821D+01  0.273820D+01
      2  -0.957699D+00  0.545685D+00 -0.141815D+01 -0.349287D+01 -0.123346D+01
      3  -0.227407D+01  0.139821D+01 -0.349287D+01  0.213909D+01 -0.378205D+00
                56            57            58            59            60 
      1  -0.123346D+01 -0.378205D+00 -0.319652D+01  0.518356D+01  0.162350D+01
      2   0.360890D+01  0.193048D+01  0.518356D+01 -0.220601D+01  0.219693D+01
      3   0.193048D+01  0.243719D+01  0.162350D+01  0.219693D+01 -0.420516D+01
                61            62            63            64            65 
      1  -0.269292D+01  0.230547D+01  0.384565D+01  0.700308D+01 -0.254562D+01
      2   0.230547D+01  0.678252D+00 -0.552239D+01 -0.254562D+01 -0.210449D+01
      3   0.384565D+01 -0.552239D+01  0.141540D+01 -0.189177D-01 -0.112999D+01
                66            67            68            69            70 
      1  -0.189177D-01 -0.450414D+01 -0.886815D+00 -0.115778D+01 -0.441907D+00
      2  -0.112999D+01 -0.886815D+00  0.235182D+00 -0.155272D+01 -0.357779D+00
      3  -0.263958D+01 -0.115778D+01 -0.155272D+01  0.149917D+01  0.275902D+00
                71            72            73            74            75 
      1  -0.357779D+00  0.275902D+00 -0.578172D+01 -0.786874D+00  0.111536D+01
      2  -0.110504D+01  0.392018D+01 -0.786874D+00  0.169812D+01  0.101913D+01
      3   0.392018D+01  0.715485D+01  0.111536D+01  0.101913D+01  0.517179D+00
                76            77            78            79            80 
      1   0.822835D+00 -0.182404D+01  0.664586D+00  0.107873D+01 -0.103878D+00
      2  -0.182404D+01 -0.314772D+01  0.115374D+01 -0.103878D+00  0.115757D+01
      3   0.664586D+00  0.115374D+01  0.259814D+00 -0.137996D+01 -0.217192D+01
                81            82            83            84            85 
      1  -0.137996D+01  0.302816D+01  0.404811D+00  0.439938D-01  0.215577D+01
      2  -0.217192D+01  0.404811D+00 -0.110192D+01 -0.310336D+00  0.467262D+01
      3  -0.261887D+00  0.439938D-01 -0.310336D+00 -0.692339D+00  0.522606D+00
                86            87            88            89            90 
      1   0.467262D+01  0.522606D+00  0.797999D+00  0.115831D+01  0.139043D+01
      2   0.991452D+01  0.872453D+00  0.115831D+01  0.285082D+01  0.709958D+01
      3   0.872453D+00  0.391127D+01  0.139043D+01  0.709958D+01  0.113903D+01
                91            92            93            94            95 
      1   0.806231D+01  0.459876D+01 -0.374220D+00  0.462009D+01  0.432624D+01
      2   0.459876D+01  0.319283D+01 -0.232018D+00  0.432624D+01  0.448334D+01
      3  -0.374220D+00 -0.232018D+00  0.577449D+00 -0.583048D+00 -0.487056D+00
                96            97            98            99           100 
      1  -0.583048D+00 -0.360282D+00 -0.446620D+00 -0.407059D-01  0.126191D+02
      2  -0.487056D+00 -0.446620D+00 -0.738498D+00  0.166055D-02 -0.304806D+01
      3   0.514437D+00 -0.407059D-01  0.166055D-02 -0.122906D+00  0.131684D+01
               101           102           103           104           105 
      1  -0.304806D+01  0.131684D+01 -0.309194D+01  0.242552D+01 -0.654538D+00
      2   0.138006D+01 -0.342545D+00  0.242552D+01 -0.137874D+01  0.334325D+00
      3  -0.342545D+00  0.837048D+00 -0.654538D+00  0.334325D+00 -0.334683D+00
               106           107           108           109           110 
      1   0.161796D+01 -0.629998D+00  0.624473D-01 -0.475364D+00  0.132749D+01
      2  -0.629998D+00  0.433603D+00 -0.765118D-01  0.132749D+01 -0.101078D+01
      3   0.624473D-01 -0.765118D-01  0.163059D+00 -0.229748D+00  0.312927D+00
               111           112           113           114           115 
      1  -0.229748D+00  0.105334D+01 -0.501591D+00  0.499432D-01 -0.186627D+00
      2   0.312927D+00 -0.501591D+00  0.977152D+01 -0.179498D+01  0.285295D+00
      3  -0.768203D-01  0.499432D-01 -0.179498D+01  0.104976D+01  0.554831D-01
               116           117           118           119           120 
      1   0.285295D+00  0.554831D-01  0.111479D+01 -0.173024D+01  0.375620D+00
      2  -0.198546D+01  0.453139D+00 -0.173024D+01  0.177477D+01 -0.356174D+00
      3   0.453139D+00 -0.212125D+00  0.375620D+00 -0.356174D+00  0.327435D+00
               121           122           123           124           125 
      1  -0.170618D+01  0.255923D+01 -0.505057D+00  0.200278D+00 -0.548668D+00
      2   0.255923D+01 -0.101964D+02  0.180972D+01 -0.548668D+00  0.197425D+01
      3  -0.505057D+00  0.180972D+01 -0.105735D+01  0.193920D+00 -0.473922D+00
               126           127           128           129           130 
      1   0.193920D+00 -0.372645D+00  0.100290D+01 -0.114619D+01  0.263237D+01
      2  -0.473922D+00  0.100290D+01 -0.607051D+00  0.130342D+00 -0.217336D+01
      3   0.198197D+00 -0.114619D+01  0.130342D+00 -0.735828D+00  0.516572D+00
               131           132           133           134           135 
      1  -0.217336D+01  0.516572D+00 -0.185295D+01  0.972881D+00 -0.174443D+01
      2   0.464315D+01 -0.257441D+01  0.972881D+00 -0.307552D+01  0.352130D+01
      3  -0.257441D+01  0.291464D+01 -0.174443D+01  0.352130D+01 -0.528752D+01
               136           137           138           139           140 
      1   0.666176D+01 -0.549993D+01  0.892062D-01 -0.250849D+01 -0.206581D+01
      2  -0.549993D+01 -0.819346D+00 -0.237801D+01 -0.206581D+01 -0.982395D+00
      3   0.892062D-01 -0.237801D+01 -0.155628D+01 -0.249388D+01 -0.127059D+01
               141           142           143           144           145 
      1  -0.249388D+01  0.525926D+01 -0.432504D+01 -0.238693D+01 -0.627407D+00
      2  -0.127059D+01 -0.432504D+01  0.100098D+01  0.393470D+01 -0.933957D-01
      3   0.367003D+01 -0.238693D+01  0.393470D+01 -0.797347D+00 -0.100742D+01
               146           147           148           149           150 
      1  -0.933957D-01 -0.100742D+01 -0.118023D+00 -0.234086D+00 -0.399784D+00
      2   0.603976D+00  0.357124D+00 -0.234086D+00 -0.147106D+01 -0.173939D+01
      3   0.357124D+00  0.131826D+01 -0.399784D+00 -0.173939D+01 -0.247914D+01
               151           152           153           154           155 
      1  -0.143295D+01 -0.300355D+00 -0.187676D+01 -0.124811D+02  0.145862D+01
      2  -0.300355D+00 -0.170064D+01 -0.204127D+01  0.145862D+01 -0.116809D+01
      3  -0.187676D+01 -0.204127D+01 -0.936464D+01 -0.119791D+01  0.118035D+00
               156           157           158           159           160 
      1  -0.119791D+01  0.263535D+01 -0.152838D+01  0.393008D+00  0.402233D+00
      2   0.118035D+00 -0.152838D+01  0.868768D+00 -0.132641D-01  0.535602D-01
      3  -0.104198D+01  0.393008D+00 -0.132641D-01  0.429788D-01 -0.134063D+01
               161           162           163           164           165 
      1   0.535602D-01 -0.134063D+01 -0.709222D+00 -0.116086D+01 -0.991809D+00
      2   0.261172D+00 -0.439178D-01 -0.116086D+01  0.250444D+00 -0.130714D+00
      3  -0.439178D-01 -0.610958D+00 -0.991809D+00 -0.130714D+00 -0.353623D+00
               166           167           168           169           170 
      1  -0.176761D+01 -0.199968D+01 -0.515560D+00 -0.284995D+01 -0.149868D+01
      2  -0.199968D+01 -0.810538D+01 -0.307907D+01 -0.149868D+01 -0.633405D+01
      3  -0.515560D+00 -0.307907D+01 -0.216695D+01 -0.981401D+00 -0.489867D+01
               171           172           173           174           175 
      1  -0.981401D+00  0.319032D-01 -0.455045D+00  0.836901D+00 -0.142488D+01
      2  -0.489867D+01 -0.455045D+00  0.741288D+00 -0.323131D+00 -0.159591D+01
      3  -0.436399D+01  0.836901D+00 -0.323131D+00  0.161477D+00  0.302322D+00
               176           177           178           179           180 
      1  -0.159591D+01  0.302322D+00  0.165666D+01  0.849358D+00 -0.703844D+00
      2  -0.665976D+01  0.289280D+01  0.849358D+00  0.453477D+01 -0.431301D+01
      3   0.289280D+01 -0.251607D+01 -0.703844D+00 -0.431301D+01  0.403675D+01
               181           182           183           184           185 
      1  -0.858973D+00  0.226363D-01  0.788561D+00 -0.927431D+00  0.175086D+00
      2   0.226363D-01  0.635416D-01  0.324077D+00  0.175086D+00 -0.165223D+01
      3   0.788561D+00  0.324077D+00 -0.412901D-01  0.918593D+00  0.104422D+01
               186           187           188           189           190 
      1   0.918593D+00  0.105313D+01  0.352549D+00 -0.102529D+01 -0.110460D+02
      2   0.104422D+01  0.352549D+00  0.154572D+01 -0.124865D+01  0.514959D+01
      3  -0.313724D+01 -0.102529D+01 -0.124865D+01  0.558294D+01  0.889748D+00
               191           192           193           194           195 
      1   0.514959D+01  0.889748D+00  0.397840D+01 -0.291915D+01 -0.957618D-01
      2  -0.337309D+01 -0.484027D+00 -0.291915D+01  0.302474D+01  0.430133D+00
      3  -0.484027D+00 -0.126523D+01 -0.957618D-01  0.430133D+00  0.279185D+00
               196           197           198           199           200 
      1  -0.189324D+01  0.108428D+01 -0.907771D+00  0.145738D+01  0.161546D+01
      2   0.108428D+01 -0.892300D+00  0.224967D+00  0.161546D+01  0.267184D+01
      3  -0.907771D+00  0.224967D+00 -0.150153D+00  0.461148D+00  0.146330D+01
               201           202           203           204           205 
      1   0.461148D+00  0.181669D+01  0.113283D+01  0.601506D+00  0.286515D-01
      2   0.146330D+01  0.113283D+01  0.556632D+01  0.201927D+01  0.708141D+00
      3   0.145880D+01  0.601506D+00  0.201927D+01  0.126631D+01  0.574669D+00
               206           207 
      1   0.708141D+00  0.574669D+00
      2   0.136695D+01  0.103106D+01
      3   0.103106D+01  0.140987D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.803195D+00 -0.113793D+01 -0.454531D+01 -0.183109D+01  0.106990D+01
      2  -0.166465D+01 -0.713875D+00  0.595777D+01  0.279590D+01  0.280985D+01
      3  -0.409405D+01 -0.140075D+02  0.151633D+01  0.721190D+01 -0.651071D+00
                 6             7             8             9            10 
      1  -0.523441D-01 -0.853769D+01  0.603379D+01 -0.211893D+01 -0.526671D+00
      2   0.757694D+01  0.195940D+01  0.115518D+02 -0.301737D+01  0.566366D+00
      3  -0.256308D+01 -0.195957D+01 -0.357538D+01 -0.443070D+01  0.416278D+01
                11            12            13            14            15 
      1  -0.173777D+00  0.251551D+01 -0.136189D+00  0.206672D+01  0.225795D+01
      2   0.113707D-01  0.905793D+01  0.389060D+01 -0.153392D+01 -0.402834D+01
      3  -0.120053D+02  0.419160D+00  0.123029D+02 -0.498001D+00  0.315913D+01
                16            17            18            19            20 
      1   0.562180D+01  0.110406D+02 -0.200908D+01  0.492122D+00  0.121613D+01
      2   0.904067D+01 -0.672628D+01  0.409314D+01  0.310396D+01 -0.346176D+01
      3  -0.292807D+01  0.228780D+01  0.195003D+01  0.523116D+01 -0.529804D+01
                21            22            23            24            25 
      1   0.354761D+01  0.170949D+00 -0.610387D+00 -0.377758D+01  0.271450D+01
      2  -0.240992D+01 -0.195352D+01 -0.336701D+00  0.364413D+01 -0.145422D+02
      3   0.274530D+01  0.487736D+01 -0.930710D+01 -0.420652D+00  0.319259D+01
                26            27            28            29            30 
      1   0.773671D+00  0.151056D+01 -0.796368D+00 -0.595626D+00  0.171519D+01
      2   0.516059D+01 -0.395766D+01 -0.122573D+01  0.270619D+01 -0.230635D+01
      3  -0.178719D+01 -0.774739D+01 -0.131778D+01  0.124485D+02 -0.121862D+01
                31            32            33            34            35 
      1  -0.570837D+00  0.231646D+01 -0.646872D+00  0.220663D+01  0.952789D+01
      2   0.253136D+01 -0.103473D+01  0.203720D-01 -0.155163D+02  0.180646D+01
      3   0.132917D+02 -0.125047D+02 -0.248511D+01  0.154175D+01  0.310916D+01
                36            37            38            39            40 
      1  -0.733739D+00  0.132025D+01 -0.646269D+00 -0.798625D+00 -0.186170D+01
      2  -0.906772D+00  0.112406D+01  0.791423D+00 -0.175165D+01 -0.298313D+01
      3  -0.212129D+01 -0.687332D+01  0.765253D+01 -0.322477D+01  0.116806D+02
                41            42            43            44            45 
      1  -0.223048D+00 -0.680103D+00 -0.328600D+01  0.786559D+01 -0.672568D+00
      2   0.374776D+01 -0.572937D+00 -0.145164D+02 -0.719431D+00 -0.878138D+00
      3   0.191113D+02  0.124813D+01  0.550371D+00 -0.279411D+01  0.358504D+01
                46            47            48            49            50 
      1  -0.267288D-01  0.703966D+00 -0.196866D+01  0.139051D+01 -0.698076D+00
      2  -0.817941D+00 -0.176343D+01 -0.154914D+01 -0.234481D+01 -0.218420D+01
      3  -0.124188D+01 -0.121930D+02  0.201769D+01 -0.468183D+00  0.627280D+01
                51            52            53            54            55 
      1  -0.356103D+01  0.142595D+01  0.125441D+01  0.734378D+00  0.953870D+00
      2  -0.580775D+01 -0.108073D+02 -0.925465D+01  0.360277D+01 -0.239457D+00
      3   0.105758D+01  0.150156D+01  0.100271D+01  0.740874D+01  0.407038D+01
                56            57            58            59            60 
      1  -0.368932D+01 -0.364323D+01 -0.207968D+01 -0.412479D+01  0.164703D+01
      2  -0.199331D+01  0.152995D+00 -0.431580D+01  0.349629D+00  0.706886D+01
      3  -0.130685D+01  0.251895D+01  0.131502D+02  0.674371D+01  0.758489D+01
                61            62            63            64            65 
      1  -0.788568D+01  0.101579D+02 -0.107536D+00  0.314028D+01  0.209768D+01
      2  -0.123702D+02  0.108520D+02 -0.102084D+00  0.897868D+01 -0.201826D+01
      3  -0.938333D-01  0.754508D+01 -0.579200D+01 -0.120961D+02 -0.813672D+01
                66            67            68            69            70 
      1   0.171598D+01 -0.842214D+00  0.301895D+01  0.216835D+01  0.253742D+01
      2   0.722633D+01 -0.231894D+01  0.210126D+01 -0.634322D+01 -0.286041D+01
      3  -0.374194D+01 -0.650881D+01  0.268591D+01 -0.556188D+01  0.631815D+00
                71            72            73            74            75 
      1   0.994087D+00 -0.225003D+01  0.538875D+00  0.122769D+01  0.952125D+00
      2  -0.115066D+02 -0.183335D+02  0.174837D+01 -0.103421D+01  0.645330D+01
      3  -0.314999D+01  0.865511D+01  0.142570D+02 -0.632611D+01  0.108679D+01
                76            77            78            79            80 
      1  -0.901887D+00  0.164587D+01 -0.824059D+01 -0.487311D+01  0.214315D+01
      2   0.148345D+00 -0.417138D+01 -0.596090D+00 -0.350009D+01  0.591107D+01
      3   0.422278D+01 -0.548152D+01  0.537649D+01 -0.219441D+01  0.791619D+01
                81            82            83            84            85 
      1   0.392323D+01  0.180721D+00  0.376098D+00 -0.398057D+01  0.170510D+01
      2  -0.565143D+00 -0.285096D+01  0.508474D+00 -0.264595D+01  0.376801D+00
      3  -0.269616D+01 -0.620521D+01 -0.203053D+00 -0.116313D+01  0.769585D+01
                86            87            88            89            90 
      1   0.250614D+01  0.103105D+02  0.739818D+01  0.243161D+02  0.207618D+01
      2  -0.404302D+00 -0.788336D+00 -0.616103D+01 -0.554333D+01 -0.400913D+00
      3  -0.710771D+01 -0.824144D+00 -0.395645D+01 -0.309311D+01  0.379653D+01
                91            92            93            94            95 
      1  -0.223707D+00 -0.387901D+00 -0.227243D+01  0.323920D+00 -0.952072D-01
      2   0.468272D+00  0.262462D+00  0.393869D+01 -0.974166D+00 -0.838036D+00
      3  -0.279070D+01 -0.628141D+01  0.997351D-01 -0.542669D+01 -0.936395D+01
                96            97            98            99           100 
      1  -0.239638D+01  0.129440D+01  0.113236D+01  0.236491D+00  0.254421D+00
      2   0.307337D+01 -0.186013D+01 -0.106986D+01 -0.259346D+00  0.198500D+01
      3   0.742739D+00  0.946893D+00  0.131676D+01  0.760250D-01  0.261595D+01
               101           102           103           104           105 
      1   0.391098D+00  0.144057D+01 -0.851883D-01 -0.164566D+00 -0.919822D+00
      2  -0.556688D+00  0.584192D+01 -0.183077D+01  0.853639D+00 -0.204138D+01
      3  -0.593645D+01  0.347052D+00 -0.515016D+01  0.382581D+01 -0.727552D+00
               106           107           108           109           110 
      1  -0.849237D+00  0.534485D+00  0.196879D+00 -0.314799D+00  0.114731D+00
      2  -0.264994D+01  0.654802D+00  0.581140D+00 -0.738096D+00  0.680747D+00
      3   0.917739D+00 -0.120639D+01  0.160016D+00 -0.459570D+01  0.365814D+01
               111           112           113           114           115 
      1   0.627922D+00  0.401389D+00 -0.936206D+00 -0.457296D+01 -0.262885D+00
      2   0.488320D-01  0.104264D+01 -0.261016D+01  0.886201D+00 -0.143613D+01
      3  -0.651471D+00  0.632541D+01 -0.156664D+02  0.293630D+01 -0.137626D+01
               116           117           118           119           120 
      1   0.215218D+01  0.524125D+00  0.751621D-02 -0.181352D+00  0.105446D+01
      2   0.372168D+00  0.414762D-01  0.464327D+00 -0.291371D+00  0.878835D+00
      3   0.328908D+01 -0.245692D+00  0.181292D+01 -0.962272D+00  0.192004D+00
               121           122           123           124           125 
      1  -0.332609D+00 -0.233518D+00 -0.467596D+01 -0.481995D-01  0.183106D+01
      2  -0.147221D+00  0.341854D+01 -0.252913D+01 -0.124890D+01  0.166952D-01
      3   0.139059D+01  0.172710D+02 -0.296668D+01 -0.182814D+00 -0.344691D+01
               126           127           128           129           130 
      1   0.656741D+00  0.979405D+00  0.387598D+00  0.102457D+01 -0.272073D+00
      2   0.281203D+00  0.157660D+01 -0.776558D-01  0.142034D+01  0.916218D+00
      3   0.618624D-01  0.234314D+01 -0.231006D+01 -0.125667D+01  0.208657D+01
               131           132           133           134           135 
      1  -0.908453D-01 -0.424936D+01  0.243324D+01 -0.140718D+00  0.504768D+01
      2   0.270412D+01 -0.441270D+01 -0.514058D+00 -0.467057D+01  0.686898D+01
      3   0.551306D+01 -0.416138D+01 -0.211948D+01 -0.561966D+01  0.484822D+01
               136           137           138           139           140 
      1  -0.674030D+01  0.294135D+01  0.837567D+00  0.594635D+01 -0.586301D+00
      2  -0.757490D+01  0.119587D+02  0.620143D+01  0.110966D+02  0.291452D+01
      3   0.239743D+01 -0.178050D+02 -0.525960D+01 -0.102587D+02 -0.803570D+01
               141           142           143           144           145 
      1  -0.137068D+02  0.112391D+01 -0.836684D+01  0.551295D+01  0.327122D-01
      2  -0.488935D+01  0.321899D+01 -0.581938D+01  0.317024D+01  0.245831D+01
      3  -0.927053D+01 -0.210456D+01 -0.992417D+01  0.461381D+01  0.866239D+00
               146           147           148           149           150 
      1  -0.180492D+01  0.155944D+00 -0.261930D+00  0.267951D+01  0.486903D-01
      2  -0.444114D+00 -0.326800D+01 -0.735089D+00  0.373581D+01  0.519618D+01
      3   0.197816D+01  0.655438D+00  0.288501D+01 -0.378332D+01 -0.359864D+01
               151           152           153           154           155 
      1   0.487906D-01  0.556519D+01  0.735025D+00 -0.112128D+01  0.148694D+01
      2  -0.109282D+01  0.463926D+01  0.209054D+02 -0.794788D+01  0.937737D+00
      3   0.600737D+00 -0.521756D+01 -0.313195D+01  0.489053D+01 -0.767208D+01
               156           157           158           159           160 
      1   0.234789D+00  0.129825D+01 -0.112580D+01 -0.910328D+00 -0.426891D+00
      2   0.524285D+01  0.137051D+01 -0.107418D+01 -0.434853D+00  0.263222D+01
      3   0.435433D+00 -0.293878D+01  0.350971D+01  0.519963D+00  0.691413D+00
               161           162           163           164           165 
      1   0.477024D+00  0.455894D+00 -0.283663D+01  0.133268D-01 -0.744976D+00
      2   0.365741D+00  0.399866D+00 -0.490199D+00 -0.237754D+00  0.178098D+01
      3   0.143564D+01 -0.178623D+00  0.235444D+01  0.149755D+01  0.303399D+01
               166           167           168           169           170 
      1  -0.196660D+01 -0.620416D+01 -0.786092D+01 -0.317852D+01 -0.103358D+02
      2   0.806713D-02  0.126321D+01  0.132363D+01 -0.261667D+00  0.262908D+01
      3   0.389832D+01 -0.259864D+01 -0.144692D+01  0.810459D+01 -0.748739D+00
               171           172           173           174           175 
      1  -0.116219D+02  0.178680D+01 -0.229543D+00  0.552865D+00  0.126420D+01
      2   0.180985D+01  0.203037D-01  0.303800D+00  0.526011D+00  0.550885D+00
      3  -0.238976D+01 -0.647126D+00 -0.154711D+01 -0.223252D+01  0.308108D+01
               176           177           178           179           180 
      1   0.514177D+01 -0.731406D+01 -0.223871D+01 -0.828372D+01  0.100330D+02
      2  -0.254308D+01  0.204855D+01 -0.126501D+01  0.292768D+01 -0.308631D+01
      3  -0.205770D+01  0.254789D+01 -0.471413D+01  0.304342D+01 -0.329405D+01
               181           182           183           184           185 
      1  -0.143102D+01 -0.366236D+00  0.696022D+00 -0.132951D+01 -0.704263D+01
      2  -0.585540D+00 -0.547569D+00 -0.379350D-01  0.582906D-01 -0.233653D+01
      3  -0.128448D+01 -0.312500D+00  0.177792D+01 -0.162308D+00 -0.437573D+01
               186           187           188           189           190 
      1   0.654970D+01  0.204040D+01  0.717780D+01 -0.121977D+02  0.205052D+01
      2   0.576690D+01 -0.178146D+01  0.273022D+01 -0.997014D+01  0.736388D+01
      3   0.374885D+01  0.241121D+01  0.451158D+01 -0.489459D+01 -0.130142D+02
               191           192           193           194           195 
      1  -0.214786D+01  0.372785D+01 -0.195013D+01  0.170997D+01 -0.123622D+01
      2  -0.287861D+01  0.554980D+01 -0.313450D+01  0.975021D+00 -0.175305D+01
      3  -0.102985D+00  0.375964D+00  0.376314D+01  0.163482D+01  0.867873D+00
               196           197           198           199           200 
      1   0.200372D+01  0.295892D+00  0.427004D+00  0.147681D+01  0.404133D+00
      2   0.125235D+01 -0.481174D+00  0.111952D+01 -0.434519D+01 -0.404538D+01
      3  -0.107939D+01  0.596638D+00 -0.177211D+01  0.105066D+02  0.824538D+01
               201           202           203           204           205 
      1  -0.284516D+01  0.543396D+00  0.188328D+01 -0.254979D+01 -0.610052D+00
      2  -0.194016D+01 -0.404825D+01 -0.580615D+01 -0.240798D+01 -0.234036D+01
      3   0.342900D+01  0.967094D+01  0.135227D+02  0.561550D+01  0.161829D+01
               206           207 
      1   0.780232D+00 -0.226068D+01
      2  -0.248564D+01 -0.277489D+01
      3   0.450917D+01  0.353892D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106763D+01 -0.196824D+02  0.310405D+01  0.338367D+02 -0.109115D+01
      2  -0.354006D+01  0.131978D+02  0.215826D+01 -0.324954D+02 -0.305334D+01
      3   0.460770D+01  0.648456D+01 -0.526232D+01 -0.134131D+01  0.414449D+01
      4  -0.186856D+02  0.160008D+02 -0.421654D+01 -0.267027D+01 -0.179850D+02
      5  -0.273058D+01 -0.249650D+01  0.129723D+02  0.760741D+01  0.720513D+01
      6  -0.239507D+01 -0.154089D+01  0.102541D+02  0.724482D+01  0.299554D+01
                 6             7             8             9            10 
      1   0.141752D+01 -0.894788D+01 -0.158635D+01  0.108256D+02 -0.564240D+01
      2  -0.318353D+01  0.103803D+02  0.433219D+01 -0.146251D+02  0.182407D+01
      3   0.176601D+01 -0.143241D+01 -0.274584D+01  0.379942D+01  0.381833D+01
      4   0.105055D+02  0.328895D+01  0.964840D+01  0.153286D+02  0.104735D+02
      5   0.164042D+02  0.306044D+02  0.167171D+02 -0.718361D+01 -0.659068D+01
      6   0.138861D+01  0.929785D+01  0.110314D+02  0.251013D+01 -0.102408D+00
                11            12            13            14            15 
      1   0.781546D+01 -0.699580D+01 -0.229960D+02 -0.206120D+02  0.646063D+01
      2  -0.423848D+01  0.189713D+01  0.211009D+02  0.198047D+02 -0.798779D+01
      3  -0.357698D+01  0.509867D+01  0.189511D+01  0.807341D+00  0.152716D+01
      4   0.248655D+02  0.831530D+00 -0.211322D+02  0.149090D+02 -0.843539D+01
      5   0.186717D+01  0.196664D+02  0.115652D+02 -0.449339D+01 -0.928023D+01
      6  -0.199716D+00 -0.563829D+01 -0.581053D+01 -0.228823D+01 -0.453250D+01
                16            17            18            19            20 
      1  -0.330144D+01  0.749101D+01  0.173065D+02  0.103639D+02 -0.261150D+01
      2  -0.238973D+01 -0.485174D+01 -0.208089D+02 -0.675005D+01 -0.452875D+00
      3   0.569117D+01 -0.263927D+01  0.350243D+01 -0.361388D+01  0.306438D+01
      4   0.125797D+02 -0.495148D+01 -0.584265D+01  0.549836D+01 -0.264966D+02
      5   0.382815D+02 -0.881147D+01  0.817731D+01  0.436795D+01  0.186400D+01
      6  -0.407780D+01  0.615569D+01  0.285364D+01  0.172649D+01 -0.112732D+01
                21            22            23            24            25 
      1   0.117923D+01  0.682324D+01  0.102745D+02 -0.517902D+01  0.969958D+00
      2  -0.279327D+01 -0.230484D+00 -0.169382D+02  0.794692D+01 -0.177699D+01
      3   0.161404D+01 -0.659276D+01  0.666372D+01 -0.276790D+01  0.807033D+00
      4   0.335213D+01  0.202233D+02  0.100638D+02  0.402144D+00 -0.156518D+01
      5  -0.662261D+01 -0.149677D+01  0.542341D-01  0.548443D+01  0.323650D+01
      6  -0.660696D+01 -0.231290D+01  0.112084D+02  0.675098D+01  0.110593D+01
                26            27            28            29            30 
      1  -0.431910D+01 -0.138190D+02 -0.352332D+02  0.150680D+02 -0.196852D+01
      2   0.991861D+01  0.242747D-02  0.212033D+02 -0.799767D+01 -0.169918D+00
      3  -0.559951D+01  0.138166D+02  0.140299D+02 -0.707029D+01  0.213843D+01
      4  -0.299033D+01  0.121094D+02 -0.126595D+02  0.112463D+02 -0.106649D+00
      5   0.112936D+02 -0.837288D+01 -0.352437D+01  0.134313D+01 -0.262034D+01
      6   0.136266D+02 -0.533086D+01  0.312024D+01  0.118110D+00 -0.244873D+01
                31            32            33            34            35 
      1   0.190318D+02 -0.425356D-01  0.103997D+01 -0.843529D+01  0.272684D+01
      2  -0.975207D+01  0.354862D+01 -0.304395D+01 -0.260268D+00 -0.986667D+00
      3  -0.927974D+01 -0.350608D+01  0.200398D+01  0.869556D+01 -0.174018D+01
      4  -0.118729D+01  0.339643D+01 -0.797342D+00  0.496173D+01 -0.248758D+01
      5   0.273903D+01 -0.384757D+00 -0.503556D+00  0.176920D+01  0.227617D+00
      6  -0.618872D+01 -0.251052D+01  0.297349D+01 -0.935915D+00  0.849812D+01
                36            37            38            39            40 
      1  -0.115625D+02 -0.154756D+02 -0.286708D+02  0.249832D+01 -0.214637D+02
      2   0.420668D+00  0.137024D+02  0.205987D+02  0.640932D+00  0.102643D+02
      3   0.111418D+02  0.177322D+01  0.807202D+01 -0.313925D+01  0.111994D+02
      4  -0.278480D+01 -0.405763D+01 -0.538472D+00 -0.585735D+00 -0.249627D+01
      5  -0.954700D+00  0.300067D+01  0.163884D+01 -0.160420D+01  0.451800D+00
      6   0.268287D+00 -0.237220D+01 -0.136451D+00  0.100209D+01  0.826555D+01
                41            42            43            44            45 
      1  -0.135861D+02  0.260355D+00  0.206951D+01 -0.177459D+01 -0.151927D+02
      2   0.144333D+02 -0.862994D+00  0.205426D+01  0.197213D+01  0.456086D+01
      3  -0.847205D+00  0.602639D+00 -0.412377D+01 -0.197539D+00  0.106318D+02
      4  -0.389710D+01  0.264714D+01  0.141016D+01  0.177352D+01 -0.186198D+01
      5   0.305605D+01 -0.351906D+00  0.242800D+01 -0.297830D+01 -0.179590D+00
      6  -0.625466D+00  0.122469D+01 -0.117119D+01  0.118725D+02  0.162050D+01
                46            47            48            49            50 
      1   0.102518D+02  0.182808D+02  0.276550D+00 -0.218374D+02  0.146150D+02
      2  -0.105517D+02 -0.123982D+02  0.856986D+00  0.184460D+02 -0.220763D+02
      3   0.299865D+00 -0.588261D+01 -0.113354D+01  0.339136D+01  0.746126D+01
      4   0.625042D+01 -0.192517D+02  0.407745D+01  0.138392D+02 -0.219953D+01
      5  -0.349746D+01  0.177064D+01 -0.552471D+01 -0.722679D+00 -0.472575D+01
      6   0.441562D+01 -0.150100D+01  0.315541D+01 -0.280552D+01  0.111730D+02
                51            52            53            54            55 
      1  -0.435360D+01  0.396689D+01 -0.215822D+01 -0.686882D+01  0.244594D+02
      2   0.777106D+01 -0.481559D+01  0.934682D+01 -0.402419D+01 -0.119354D+02
      3  -0.341746D+01  0.848704D+00 -0.718860D+01  0.108930D+02 -0.125240D+02
      4  -0.446789D+01  0.852290D+00 -0.782656D+01 -0.153706D+02 -0.269850D+01
      5  -0.109965D+02  0.829118D+01 -0.158318D+02  0.690567D+01  0.221604D+01
      6   0.721429D+01 -0.499277D+01  0.130969D+02 -0.328048D+01 -0.425609D+01
                56            57            58            59            60 
      1  -0.160781D+02 -0.448523D+01 -0.218973D+02  0.542767D+01 -0.932240D+01
      2   0.124552D+02  0.525850D+01  0.141083D+02  0.109775D+01  0.820840D+01
      3   0.362284D+01 -0.773274D+00  0.778897D+01 -0.652542D+01  0.111400D+01
      4  -0.891060D+01 -0.487654D+01 -0.158816D+02  0.978461D+01 -0.579926D+01
      5  -0.692829D+01 -0.848521D+01 -0.100510D+02 -0.737332D+01  0.146904D+02
      6   0.454394D+01  0.551072D+01  0.901697D+00  0.795116D+01 -0.183798D+02
                61            62            63            64            65 
      1  -0.816065D+00 -0.810713D+01  0.119365D+02 -0.505972D+02  0.152148D+02
      2   0.541489D+01  0.242303D+00 -0.108949D+02  0.256945D+02 -0.104382D+02
      3  -0.459883D+01  0.786483D+01 -0.104158D+01  0.249026D+02 -0.477659D+01
      4  -0.142988D+02  0.341317D+01  0.225175D+02  0.161934D+02  0.423191D+01
      5  -0.179780D+02  0.213271D+02 -0.252402D+01 -0.762242D+01  0.658218D+01
      6   0.186349D+02 -0.258409D+02  0.101766D+02  0.260999D+01  0.178209D+01
                66            67            68            69            70 
      1  -0.574420D+01  0.215623D+02  0.852163D+01  0.993079D+01  0.189741D+01
      2  -0.254599D+01 -0.132190D+02 -0.120516D+02 -0.494045D+00  0.188876D+01
      3   0.829020D+01 -0.834333D+01  0.352996D+01 -0.943675D+01 -0.378616D+01
      4   0.437647D+01 -0.202903D+01 -0.404514D-01  0.713744D+01  0.609723D+01
      5   0.840752D+01  0.113664D+02  0.862708D+01 -0.430172D+01 -0.295905D+01
      6   0.535554D+00  0.274363D+01 -0.978801D+00 -0.516549D+01 -0.310278D+01
                71            72            73            74            75 
      1   0.288845D+01  0.147798D+02  0.315774D+02  0.105606D+02  0.113655D+01
      2   0.101799D+02  0.173497D+02 -0.174257D+02 -0.806141D+01 -0.195316D+01
      3  -0.130684D+02 -0.321295D+02 -0.141517D+02 -0.249915D+01  0.816608D+00
      4   0.115019D+00 -0.147616D+02  0.136027D+02  0.112316D+02 -0.539610D+01
      5  -0.142909D+02 -0.290645D+02 -0.591740D+01 -0.330740D+01  0.996324D+01
      6  -0.746640D+00 -0.118088D+02 -0.954425D+00 -0.870633D+01 -0.523057D+01
                76            77            78            79            80 
      1  -0.891553D+01 -0.742699D+01  0.802518D-01 -0.711122D+01 -0.104017D+01
      2   0.100818D+02  0.159284D+02  0.252392D+01  0.449462D+01 -0.319401D+01
      3  -0.116627D+01 -0.850143D+01 -0.260417D+01  0.261659D+01  0.423418D+01
      4   0.128413D+02  0.102028D+02 -0.660262D+01 -0.619746D+01 -0.626216D+01
      5  -0.549641D+01 -0.585342D+01 -0.357393D+01  0.110654D+02  0.787920D+01
      6  -0.544563D+00 -0.236234D+01  0.112416D+02  0.397306D+01  0.111476D+02
                81            82            83            84            85 
      1  -0.819083D+01 -0.129195D+02 -0.453971D+01 -0.452292D+00  0.233220D+02
      2  -0.486360D+01  0.985472D+01  0.703579D+01  0.293725D+01 -0.206297D+02
      3   0.130544D+02  0.306477D+01 -0.249608D+01 -0.248496D+01 -0.269223D+01
      4   0.959223D+01  0.314646D+00 -0.339699D+01  0.253310D+01 -0.109182D+01
      5  -0.156860D+01 -0.187017D+01  0.119853D+01 -0.827461D+01 -0.288445D+01
      6  -0.196036D+01 -0.865577D+00  0.154022D+01  0.939149D+01 -0.406682D+01
                86            87            88            89            90 
      1   0.452865D+02  0.227301D+01  0.650096D+01  0.828252D+01  0.343175D+02
      2  -0.425149D+02 -0.293813D+01 -0.654363D+01 -0.116089D+02 -0.325244D+02
      3  -0.277162D+01  0.665122D+00  0.426738D-01  0.332638D+01 -0.179309D+01
      4  -0.792906D+01 -0.292033D+01 -0.350803D+01 -0.514471D+01 -0.931289D+01
      5  -0.389718D+01 -0.433679D+01 -0.335930D+01 -0.112985D+02 -0.184316D+01
      6  -0.565486D+01 -0.291517D+02 -0.939829D+01 -0.488833D+02 -0.497881D+01
                91            92            93            94            95 
      1   0.497816D+02  0.247799D+02 -0.230074D+01  0.206220D+02  0.148374D+02
      2  -0.194044D+02 -0.672220D+01  0.102994D+01 -0.123649D+01  0.361711D+01
      3  -0.303771D+02 -0.180577D+02  0.127080D+01 -0.193855D+02 -0.184545D+02
      4   0.469159D+02  0.329192D+02 -0.222321D+01  0.394405D+02  0.380457D+02
      5  -0.535975D+01 -0.274972D+01  0.700206D+01 -0.550140D+01 -0.476700D+01
      6  -0.822217D+00 -0.701082D+00  0.280190D+01 -0.245066D+01 -0.208508D+01
                96            97            98            99           100 
      1  -0.192164D+01 -0.731490D+00 -0.628377D+00  0.336882D+00  0.968516D+02
      2   0.900296D+00 -0.857569D+00 -0.106769D+01  0.616658D+00 -0.533195D+02
      3   0.102134D+01  0.158906D+01  0.169607D+01 -0.953540D+00 -0.435320D+02
      4  -0.394409D+01 -0.429880D+01 -0.403117D+01  0.199819D+01 -0.331000D+02
      5   0.464931D+01  0.157376D+01  0.892484D+00 -0.607963D+00  0.125677D+02
      6   0.411964D+01  0.841312D+00  0.159388D+01 -0.103912D+01 -0.579951D+00
               101           102           103           104           105 
      1  -0.219802D+02  0.880113D+01 -0.201600D+02  0.139385D+02 -0.336566D+01
      2   0.109406D+02 -0.576757D+01  0.854971D+01 -0.556286D+01  0.227825D+01
      3   0.110396D+02 -0.303356D+01  0.116103D+02 -0.837564D+01  0.108740D+01
      4   0.159652D+02 -0.322095D+01  0.236317D+02 -0.128091D+02  0.293728D+01
      5  -0.296236D+01  0.100517D+02 -0.560322D+01  0.297933D+01 -0.308709D+01
      6   0.716868D+00 -0.157667D+01  0.164556D+01 -0.714989D+00  0.237664D+01
               106           107           108           109           110 
      1   0.103284D+02 -0.326350D+01  0.244010D+01 -0.404114D+01  0.641437D+01
      2  -0.541070D+01  0.143068D+01 -0.119617D+01  0.549988D+01 -0.584213D+01
      3  -0.491771D+01  0.183281D+01 -0.124394D+01 -0.145874D+01 -0.572236D+00
      4  -0.653270D+01  0.307873D+01 -0.192688D+01  0.866369D+00  0.726683D+01
      5   0.260617D+01 -0.747155D+00  0.194715D+01 -0.343515D+00 -0.670622D+00
      6  -0.571566D+00  0.994714D+00 -0.826788D+00 -0.157358D+01  0.223055D+01
               111           112           113           114           115 
      1  -0.186495D+01  0.358496D+01 -0.380864D+02  0.739746D+01 -0.125088D+01
      2   0.128216D+01 -0.276305D+01  0.528035D+02 -0.773793D+01  0.140964D+01
      3   0.582791D+00 -0.821906D+00 -0.147171D+02  0.340471D+00 -0.158768D+00
      4  -0.842431D+00  0.527888D+01  0.192400D+02 -0.401974D+01 -0.882007D+00
      5   0.153448D+01 -0.766370D+00 -0.474796D+01  0.201599D+01  0.571641D+00
      6  -0.867289D+00  0.233249D+00 -0.140410D+02  0.891544D+01 -0.212339D+00
               116           117           118           119           120 
      1   0.771211D+01 -0.308858D+01  0.139629D+01 -0.310938D+01  0.553538D+00
      2  -0.953671D+01  0.360843D+01  0.354521D+01 -0.284841D+01  0.161323D+00
      3   0.182460D+01 -0.519849D+00 -0.494150D+01  0.595780D+01 -0.714862D+00
      4  -0.305207D+01 -0.197557D+00 -0.110684D+02  0.161672D+02 -0.293077D+01
      5   0.479544D+00 -0.883451D-02  0.184282D+01 -0.263719D+01  0.293037D+01
      6   0.527719D+01 -0.296866D+01 -0.190326D+01  0.192823D+01 -0.180266D+01
               121           122           123           124           125 
      1   0.166970D+01 -0.250540D+02  0.435747D+01  0.178314D+00  0.449229D+01
      2  -0.890952D+01  0.454769D+02 -0.565604D+01  0.882270D+00 -0.756223D+01
      3   0.723982D+01 -0.204230D+02  0.129856D+01 -0.106058D+01  0.306994D+01
      4   0.178537D+02 -0.438088D+02  0.776026D+01 -0.358795D+01  0.899395D+01
      5  -0.295580D+01  0.693076D+01 -0.451723D+01  0.128172D+01 -0.178240D+01
      6   0.308621D+01 -0.116065D+02  0.857435D+01 -0.128278D+01  0.529721D+01
               126           127           128           129           130 
      1  -0.266522D+01  0.926490D+00 -0.142888D+01  0.261478D+01  0.479861D+01
      2   0.354747D+01 -0.680252D+00  0.246515D+00 -0.200989D+01 -0.476124D+01
      3  -0.882251D+00 -0.246238D+00  0.118237D+01 -0.604886D+00 -0.373631D-01
      4  -0.202740D+01 -0.475961D+01  0.773412D+01 -0.386003D+01  0.110806D+02
      5   0.125372D+01  0.491904D+01 -0.305789D+01  0.802212D+01 -0.319486D+01
      6  -0.287980D+01 -0.563202D+01  0.127169D+01 -0.208356D+01  0.438325D+01
               131           132           133           134           135 
      1  -0.148866D+02  0.914561D+01 -0.801088D+00  0.113926D+02 -0.160993D+02
      2   0.150755D+02 -0.804562D+01 -0.740810D+00 -0.516751D+01  0.336899D+00
      3  -0.188942D+00 -0.109999D+01  0.154190D+01 -0.622505D+01  0.157624D+02
      4  -0.156805D+02  0.747890D+01 -0.573573D+01  0.965356D+01 -0.109134D+02
      5   0.783384D+01 -0.959827D+01  0.106658D+02 -0.112503D+02  0.161420D+02
      6  -0.166963D+02  0.181562D+02 -0.824127D+01  0.194421D+02 -0.237755D+02
               136           137           138           139           140 
      1  -0.232787D+02  0.324830D+02  0.826829D+01  0.311434D+02  0.632245D+01
      2  -0.817621D+01 -0.183201D+02 -0.100907D+02 -0.157511D+02 -0.930232D+01
      3   0.314549D+02 -0.141629D+02  0.182238D+01 -0.153924D+02  0.297986D+01
      4   0.431482D+02 -0.187654D+02  0.548017D+01 -0.927618D+01 -0.251697D+01
      5   0.509667D+01  0.316420D+00  0.581271D+01  0.348282D+01  0.666144D+00
      6  -0.320923D+01 -0.113063D+02 -0.711849D+01 -0.105740D+02 -0.615020D+01
               141           142           143           144           145 
      1   0.282735D+01  0.612075D+01  0.262143D+01 -0.294596D+01  0.329452D+01
      2  -0.190983D+02 -0.954614D+01 -0.119529D+02  0.146009D+02 -0.425391D+01
      3   0.162709D+02  0.342539D+01  0.933146D+01 -0.116550D+02  0.959385D+00
      4  -0.383594D+00  0.197063D+02 -0.930843D+01 -0.198941D+02  0.350215D+00
      5  -0.170846D+02  0.120050D+02 -0.198375D+02  0.112970D+01  0.421092D+01
      6   0.764948D+01 -0.158100D+02  0.125939D+02  0.631691D+01  0.134845D+01
               146           147           148           149           150 
      1   0.821766D+00  0.807176D+01  0.456497D+00 -0.668915D+01 -0.664425D+01
      2   0.427531D+00  0.253982D+00 -0.139947D+01  0.152436D+01 -0.208281D+01
      3  -0.124930D+01 -0.832575D+01  0.942977D+00  0.516480D+01  0.872705D+01
      4  -0.104709D+01  0.597711D+00  0.362472D+01  0.619208D+01  0.718710D+01
      5  -0.130236D-01  0.718785D+00  0.354607D+01  0.628584D+01  0.997374D+01
      6  -0.837330D+00 -0.150315D+01  0.155996D+01  0.720600D+01  0.125933D+02
               151           152           153           154           155 
      1   0.416139D+01 -0.419703D+01 -0.178819D+02  0.808426D+02 -0.937278D+01
      2  -0.812439D+01 -0.319452D+01 -0.244145D+02 -0.457630D+02  0.518566D+01
      3   0.396299D+01  0.739155D+01  0.422964D+02 -0.350797D+02  0.418712D+01
      4   0.262299D+01  0.795061D+01  0.907826D+01 -0.884865D+01  0.104714D+02
      5   0.139787D+02  0.823228D+01  0.378613D+02  0.183245D+02 -0.228280D+01
      6   0.257974D+01  0.742416D+01  0.131372D+02 -0.136190D+01  0.125250D+01
               156           157           158           159           160 
      1   0.651657D+01 -0.153852D+02  0.798048D+01 -0.254033D+01 -0.184648D+01
      2  -0.573926D+01  0.860869D+01 -0.293666D+01  0.103579D+01 -0.649635D+00
      3  -0.777308D+00  0.677653D+01 -0.504382D+01  0.150454D+01  0.249611D+01
      4  -0.655729D+00  0.135143D+02 -0.592042D+01  0.587434D+00 -0.502018D+00
      5   0.108204D+02 -0.500969D+01  0.134498D+01 -0.177182D+01  0.114785D+02
      6  -0.365811D+00  0.235026D+01 -0.127191D+01  0.237333D+01 -0.940567D+00
               161           162           163           164           165 
      1  -0.256514D+00  0.598361D+01 -0.838414D+00  0.269194D+01  0.716673D+00
      2  -0.797836D+00 -0.589889D+01  0.185491D+01 -0.238018D+01 -0.152915D+01
      3   0.105435D+01 -0.847180D-01 -0.101650D+01 -0.311758D+00  0.812479D+00
      4  -0.901289D+00 -0.419278D+00  0.333767D+01  0.858234D+01  0.489162D+01
      5  -0.795401D+00  0.356803D+01  0.201279D+01  0.339223D+01  0.617837D+01
      6   0.130380D+01  0.261004D+00  0.689110D+01  0.901195D+00  0.149673D+01
               166           167           168           169           170 
      1  -0.508701D+01 -0.347070D+02 -0.123204D+02 -0.300754D+01 -0.275952D+02
      2   0.690771D+01  0.437071D+02  0.150152D+02  0.372603D+01  0.288226D+02
      3  -0.182070D+01 -0.900008D+01 -0.269481D+01 -0.718491D+00 -0.122747D+01
      4   0.737700D+01  0.117670D+02  0.439157D+01  0.873910D+01  0.902534D+01
      5   0.282199D+01  0.460119D+01  0.351560D+01  0.586314D+01  0.815299D+01
      6   0.392426D+01  0.236023D+02  0.184236D+02  0.753748D+01  0.348972D+02
               171           172           173           174           175 
      1  -0.235868D+02  0.417964D+00  0.386336D+01 -0.330415D+01 -0.505898D+01
      2   0.181403D+02  0.373000D-01 -0.397451D+01  0.209217D+01  0.584346D+01
      3   0.544654D+01 -0.455264D+00  0.111154D+00  0.121198D+01 -0.784478D+00
      4   0.683950D+01  0.866021D+00  0.700799D+01 -0.448544D+01  0.559526D+01
      5   0.628854D+01 -0.103676D+01 -0.269306D+01  0.401689D+01 -0.155606D+01
      6   0.271957D+02 -0.535422D+01  0.257458D+01 -0.140003D+01 -0.252711D+01
               176           177           178           179           180 
      1  -0.289285D+02  0.129774D+02  0.138841D+01  0.208889D+02 -0.219871D+02
      2   0.347657D+02 -0.145111D+02 -0.158070D+01 -0.200972D+02  0.154358D+02
      3  -0.583718D+01  0.153366D+01  0.192287D+00 -0.791745D+00  0.655129D+01
      4   0.841641D+01 -0.330999D+01 -0.592346D+01 -0.556801D+01  0.520020D+01
      5  -0.416987D+01  0.392041D+01  0.414130D+01  0.684945D+01 -0.558037D+01
      6  -0.208677D+02  0.185978D+02  0.576029D+01  0.289771D+02 -0.240178D+02
               181           182           183           184           185 
      1   0.386871D+01 -0.191757D+01 -0.437532D+01  0.821918D+00 -0.743909D+00
      2  -0.343599D+01  0.494043D+00  0.391316D+01 -0.247700D+01 -0.544930D+01
      3  -0.432720D+00  0.142353D+01  0.462162D+00  0.165508D+01  0.619321D+01
      4  -0.281747D+01  0.242060D+01  0.291706D+00 -0.200220D+00  0.767778D+01
      5  -0.491572D+01 -0.154503D+01  0.480953D+01 -0.586692D+01 -0.367878D+01
      6   0.733168D+00  0.116218D+01  0.677027D+00  0.148647D+01 -0.231530D+01
               186           187           188           189           190 
      1   0.205012D+01 -0.386270D+01 -0.805199D+00 -0.802725D+01  0.461257D+02
      2   0.123571D+02  0.610255D+01  0.101727D+02 -0.200328D+02 -0.976858D+01
      3  -0.144072D+02 -0.223986D+01 -0.936754D+01  0.280600D+02 -0.363571D+02
      4  -0.367913D+01  0.115951D+01 -0.580422D+01  0.550849D+01 -0.543824D+02
      5   0.123591D+02  0.868024D+01  0.505915D+01 -0.209376D+02 -0.150820D+02
      6  -0.202686D+01 -0.137942D+01  0.274999D+01  0.755307D+01  0.622779D+01
               191           192           193           194           195 
      1  -0.148333D+02 -0.202351D+00 -0.106181D+02  0.291269D+01 -0.996545D+00
      2  -0.387649D+01  0.213203D+01 -0.478337D+01  0.984521D+01  0.134344D+01
      3   0.187098D+02 -0.192968D+01  0.154015D+02 -0.127579D+02 -0.346893D+00
      4   0.335519D+02  0.339911D+01  0.277247D+02 -0.230877D+02 -0.157638D+01
      5   0.699561D+01  0.100750D+02  0.478449D+01 -0.367293D+01 -0.270649D+01
      6  -0.454443D+01 -0.664120D+01 -0.247118D+01  0.409076D+01  0.377240D+01
               196           197           198           199           200 
      1   0.458353D+01 -0.124881D+01  0.379399D+01 -0.674382D+01 -0.173532D+02
      2   0.166711D+01 -0.143461D+01 -0.260435D+01  0.962828D+01  0.187609D+02
      3  -0.625063D+01  0.268343D+01 -0.118964D+01 -0.288447D+01 -0.140769D+01
      4  -0.796315D+01  0.529628D+01 -0.408558D+01  0.257246D+01  0.259714D+01
      5   0.734595D+01 -0.214912D+01  0.651805D-01  0.268550D+01  0.568095D+00
      6  -0.464789D+01  0.289275D+01 -0.110027D+01  0.430932D+01  0.105787D+02
               201           202           203           204           205 
      1  -0.837211D+01 -0.124620D+02 -0.274981D+02 -0.110361D+02 -0.388934D+01
      2   0.614917D+01  0.109132D+02  0.367284D+02  0.111858D+02  0.283980D+01
      3   0.222294D+01  0.154877D+01 -0.923024D+01 -0.149653D+00  0.104954D+01
      4  -0.237938D+00  0.718005D+01 -0.650865D+01 -0.234519D+01 -0.422748D+00
      5  -0.111243D+01  0.274032D+01 -0.182023D+01 -0.903140D+00  0.166848D+01
      6   0.845834D+01  0.468088D+01  0.181350D+02  0.116485D+02  0.434620D+01
               206           207 
      1  -0.897791D+01 -0.896322D+01
      2   0.757247D+01  0.410910D+01
      3   0.140544D+01  0.485411D+01
      4  -0.620562D+00  0.122624D+01
      5  -0.257761D-01 -0.175898D+01
      6   0.104513D+02  0.826716D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.226347D+00      0.575317D+00      0.191905D+01
   y          0.189666D+00      0.482084D+00      0.160806D+01
   z         -0.308094D+00     -0.783097D+00     -0.261213D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.139945D+03      0.207377D+02      0.230738D+02
   yx        -0.282459D+01     -0.418560D+00     -0.465711D+00
   yy         0.123418D+03      0.182887D+02      0.203489D+02
   zx         0.287768D+01      0.426428D+00      0.474465D+00
   zy        -0.388014D+01     -0.574978D+00     -0.639749D+00
   zz         0.804671D+02      0.119240D+02      0.132672D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.125277D+03      0.185642D+02      0.206554D+02
   aniso      0.580845D+02      0.860724D+01      0.957685D+01
   xx         0.153240D+03      0.227079D+02      0.252659D+02
   yx        -0.268783D+01     -0.398296D+00     -0.443164D+00
   yy         0.133853D+03      0.198350D+02      0.220694D+02
   zx         0.275384D+01      0.408078D+00      0.454048D+00
   zy        -0.380705D+01     -0.564146D+00     -0.627697D+00
   zz         0.887378D+02      0.131496D+02      0.146309D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.66220243         -0.83929219          3.54989462
     6          4.66476626          1.25623974          2.31679814
     6          1.31896453         -1.76693413          2.83444931
     6         -0.06333214         -0.63268118          0.89704235
     6          0.94850526          1.47008224         -0.33271392
     6          3.30472591          2.39897540          0.39150176
     6         -2.60382006         -1.68251464          0.10436484
     6         -4.06600245          0.33679553         -1.34717779
     8         -2.56923868          1.34538785         -3.33249771
     6         -0.52623406          2.78670377         -2.39072981
     1          4.70441885         -1.74128215          5.06108897
     1          6.49630156          1.99076441          2.85463850
     1          0.53275239         -3.39560187          3.79687613
     1          4.08091096          4.03222583         -0.57264486
     1         -3.67930483         -2.14309546          1.81176297
     6         -2.30054647         -4.09564630         -1.47271244
     1         -4.65982098          1.85995797         -0.06673155
     1         -5.74753054         -0.45747117         -2.23388248
     1         -1.23032680          4.60840651         -1.67092280
     1          0.69143089          3.18777572         -4.00508959
     1         -1.34355663         -3.67049862         -3.24745136
     1         -4.14225117         -4.92038558         -1.90762434
     1         -1.18449193         -5.50425137         -0.46433365

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.426765D+00      0.108473D+01      0.361827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.126668D+03      0.187703D+02      0.208848D+02
   yx         0.148868D+02      0.220599D+01      0.245450D+01
   yy         0.112526D+03      0.166746D+02      0.185530D+02
   zx         0.207075D+02      0.306853D+01      0.341420D+01
   zy        -0.141025D+02     -0.208978D+01     -0.232519D+01
   zz         0.104636D+03      0.155055D+02      0.172522D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.125277D+03      0.185642D+02      0.206554D+02
   aniso      0.580845D+02      0.860724D+01      0.957685D+01
   xx         0.138345D+03      0.205006D+02      0.228100D+02
   yx         0.156278D+02      0.231581D+01      0.257668D+01
   yy         0.122626D+03      0.181713D+02      0.202183D+02
   zx         0.229107D+02      0.339501D+01      0.377746D+01
   zy        -0.145715D+02     -0.215927D+01     -0.240251D+01
   zz         0.114860D+03      0.170206D+02      0.189379D+02

 ----------------------------------------------------------------------
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 61,0.0144073,0.0641028,-0.0052956,0.004476,-0.0696659,0.1670105,0.3546
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 SOME THINGS ARE EASY, THEY ARE ONLY HARD TO DO.
            -- A. EINSTEIN TO J. O. HIRSCHFELDER
 THE ONLY TROUBLE WITH A SURE THING IS THE UNCERTAINTY.
     -- FROM A TEABAG (BELONGING TO W.H.?)
 Job cpu time:       0 days  9 hours  5 minutes 12.8 seconds.
 Elapsed time:       0 days  1 hours  8 minutes 21.5 seconds.
 File lengths (MBytes):  RWF=    411 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Sun Jul 18 14:10:04 2021.
